9O0X

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	79.049, 153.457, 137.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 1.680
R-factor	0.19774
Rwork	0.197
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.292
Data reduction software	HKL-3000
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	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.074	0.040	0.975
Rmeas	0.079	0.042	1.041
Rpim	0.027	0.014	0.360
Total number of observations	788428
Number of reflections	94939	5001	4684
<I/σ(I)>	8.6
Completeness [%]	99.8	99.7	99.4
Redundancy	8.3	8.4	7.8
CC(1/2)	0.999	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 600, 0.15M KSCN, 0.1M Tris 7.5