9QBV

Crystal structure of WRN in complex with (R)-11 (GSK4766470)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	58.184, 58.310, 132.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.340 - 2.150
R-factor	0.19636
Rwork	0.193
R-free	0.25839
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.088	0.059	0.646
Rmeas	0.100	0.067	0.718
Rpim	0.046	0.031	0.306
Number of reflections	23142	1403	1081
<I/σ(I)>	12.7		2.3
Completeness [%]	89.9	98.7	85.3
Redundancy	4.4	4.4	4.5
CC(1/2)	0.983	0.992	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	10% PEG 6000, 0.1 M HEPES pH 7.0