9AVA

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	2021-11-24
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	C 2 2 21
Unit cell lengths	136.120, 288.960, 178.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.300
R-factor	0.204
Rwork	0.202
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.167	0.039	0.983
Rmeas	0.193	0.044	1.156
Rpim	0.094	0.020	0.593
Total number of observations	602739
Number of reflections	151765	7606	7523
<I/σ(I)>	7.6
Completeness [%]	98.2	94	98
Redundancy	4	4.2	3.5
CC(1/2)	0.982	0.999	0.401

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]