9QBU

Crystal structure of WRN in complex with (S)-27 (GSK5819992)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9655
Spacegroup name	P 1 21 1
Unit cell lengths	58.410, 57.933, 133.241
Unit cell angles	90.00, 91.31, 90.00

Refinement procedure

Resolution	58.390 - 2.100
R-factor	0.19958
Rwork	0.197
R-free	0.24943
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	133.210	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.072	1.374
Rmeas	0.087	1.559
Rpim	0.037	0.653
Number of reflections	49800	3059
<I/σ(I)>	14.7	1.8
Completeness [%]	95.1
Redundancy	5.6	5.7
CC(1/2)	0.999	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	7% PEG 20000, 0.1 M MES pH 5.5