9O0W

Co-crystal structure of human TREX1 in complex with an inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	78.698, 153.693, 137.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 1.430
R-factor	0.16195
Rwork	0.162
R-free	0.18123
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.307
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.430	3.880	1.430
Rmerge	0.065	0.032	0.935
Rmeas	0.069	0.034	0.995
Rpim	0.024	0.012	0.337
Total number of observations	1281588
Number of reflections	152888	7995	7550
<I/σ(I)>	8.1
Completeness [%]	99.9	99.6	100
Redundancy	8.4	8	8.5
CC(1/2)	0.999	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200mM KBr, 8% PEG 20K, 8% PEG 550 MME, 100mM Tris [pH 7.5]