9MK0

Crystal structure of WRN helicase with bound allosteric compound 5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	95
Detector technology	PIXEL
Collection date	2023-06-08
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.999
Spacegroup name	I 2 2 2
Unit cell lengths	80.618, 96.111, 149.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 1.890
R-factor	0.19404
Rwork	0.192
R-free	0.22987
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.360
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	1.920
High resolution limit [Å]	1.890	1.890
Number of reflections	46576	2304
<I/σ(I)>	10.2
Completeness [%]	100.0
Redundancy	8.5
CC(1/2)	0.997	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% w/v PEG6000, 0.2 M calcium chloride, 0.1 M MES, pH 6.0