8VL7

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-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	55.827, 56.336, 162.853
Unit cell angles	93.12, 98.22, 99.92

Refinement procedure

Resolution	34.640 - 1.880
R-factor	0.19437
Rwork	0.192
R-free	0.23279
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.283
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.063	0.036	0.594
Rmeas	0.086	0.047	0.818
Rpim	0.058	0.031	0.560
Total number of observations	285236
Number of reflections	141898	7230	7083
<I/σ(I)>	14.5
Completeness [%]	90.6	92.7	90.7
Redundancy	2	2.1	2
CC(1/2)	0.994	0.995	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	300mM MgNO4, 26% PEG 3350, 100mM Tris pH 7.5