The Expanse series, book 1 deals with one main character trying to solve the disappearance a a VIP's daughter. The series follows the POV of multiple characters, though, so it's not a straight up mystery because different characters have different things going on with them. However, the plot points do converge. Not necessarily in the same book, but they always converge.

It's an amazing series, though, even though it's not a mystery throughout. It blends different genres in. Noir mystery, horror, outbreak, political thriller, etc. The characters have consistent motivations, and while you may not always agree with their choices you will understand them. Also, the series is complete and it sticks the landing. And the human technology is rooted in hard science. No artificial gravity or laser blasters. Travel to different planets takes real time. High velocity has considerable strain on human bodies. It's extremely well thought out.

Expanse and pretty much all of Asimov? :)

I have not read Lock-In, but the synopsis sounds similar to Recursion by Blake Crouch

Project Project Hail Mary by Andy Weir has some mystery, at least for a while while the character tries to figure out what's going on.

If you're okay with a horror element, Dead Silence by SA Barnes. Astronauts are trying to figure out what happened on a space ship that seems to drive everyone insane

Hyperion is a sci-fi version of the Canterbury tales, each chapter the story of one of the characters with an overarching mystery. It’s an absolutely great book that i don’t see recommended enough

The Dark Side, is a murder mystery on the moon.

"In this dark and gripping sci-fi noir, an exiled police detective arrives at a lunar penal colony just as a psychotic android begins a murderous odyssey across the far side of the moon"

Might not be an exact fit, but maybe Old Man's War by John Scalzi. It's not a mystery per se, but there is definitely an element of "what's actually going on here" for the main character to sort out.

You should try The Gone World by Tom Sweterlitsch. It’s a time traveling detective noir sort of thing with apocalyptic stakes.

Check out Elizabeth Bear's White Space novels, not a trilogy but 3 books set in the same universe. Each has a main mystery set in a pretty well written universe.
A bit more melodrama than what I usually read, but al in all a solid set of books.

14 and The Fold, both by Peter Clines

An Absolutely Remarkable Thing by Hank Green

Altered Carbon (by Richard Kadrey?).
A billionaire, in a fresh new body but missing a couple of days worth of memories, hires a special ops/detective to solve his own murder.

It's a great book, but unfortunately the series isn't as consistently good as that first one.

Chasm City Alastair Reynolds is kind of like a neo-noir style story in the Revelation Space series, might be fun even if it isn't quite as mystery-centric as you'd like. House of Suns is a standalone by the same author that also has a mystery at the center of the story. It also might not be as mystery focused as you're looking for, I'm not sure. Anyway, I recommend Reynolds as often as I can.

Edit: I can't believe I forgot about The Prefect and the two books that follow. They are also Revelation Space series books and are about a Prefect that investigates crimes in a society made up of mostly-independent communities in various space stations that orbit the planet Yellowstone in a large ring called the Glitter Band. Very good series.

The Quantum Thief, by Hannu Rajaniemi. First of a trilogy.

The Expeditionary Force. Sentient AI with a crew of humans searching for answers.

Asimov's Mysteries, published in (1968) is a collection of science fiction mystery short stories. When Asimov set out to prove that something was possible (science fiction mysteries, in this case), he didn't hold back!

Edward D. Hoch wrote a series of several excellent science fiction mystery novels: The Transvection Machine (1971) about a teleportation machine that’s involved in an apparent murder, The Fellowship of the Hand (1973), and The Frankenstein Factory (1975). They all feature the same detective: Carl Crader of the "computer cops".

In addition to the Gil Hamilton mysteries, Larry Niven also wrote interesting detective and murder stories around the idea of a society in which cheap teleportation booths are available to all. Several of those stories are collected in A Hole in Space (1974). Like many older authors, Niven has re-released some of his short stories in larger collections later in his career, so those stories are almost certainly available in other collections. Almost all of his short stories are gems.

Happy reading! 🤓📖