10AP

Crystal Structure of Human WRN helicase with compound 26

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	69.290, 71.260, 120.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.080 - 2.580
R-factor	0.23588
Rwork	0.234
R-free	0.28568
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.195
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	2.690
High resolution limit [Å]	2.580	2.580
Rmerge	0.110	1.284
Rpim	0.044	0.377
Number of reflections	19421	2343
<I/σ(I)>	19.3
Completeness [%]	99.8	99.8
Redundancy	13.2
CC(1/2)	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	co-crystallization additive 46 [Proplex-E2-B4+29% glycerol]