9O0Y

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	77.422, 153.254, 140.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 1.500
R-factor	0.1434
Rwork	0.143
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.256
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.085	0.051	0.971
Rmeas	0.089	0.054	1.026
Rpim	0.026	0.016	0.328
Total number of observations	1481276
Number of reflections	133196	6995	6589
<I/σ(I)>	7.5
Completeness [%]	100.0	99.9	99.9
Redundancy	11.1	10.8	9.3
CC(1/2)	0.999	0.998	0.755

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