9OG3

Crystal structure of WRN in complex with compound 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	65.370, 68.717, 108.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.930 - 2.060
R-factor	0.2251
Rwork	0.224
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.990	2.170
High resolution limit [Å]	2.060	2.060
Rmerge	0.210	2.141
Rmeas	0.228	2.328
Rpim	0.088	0.902
Total number of observations	193274	24910
Number of reflections	29296	3887
<I/σ(I)>	6.6	0.9
Completeness [%]	94.6
Redundancy	6.6	6.4
CC(1/2)	0.994	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290.15	18% w/v PEG3350 and 0.18 M Tri-sodium citrate