9MJZ

Crystal structure of WRN helicase with bound allosteric compound 3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	95
Detector technology	PIXEL
Collection date	2023-07-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	58.130, 58.067, 131.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.870 - 1.700
R-factor	0.21054
Rwork	0.209
R-free	0.26144
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.426
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]	34.870	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	49994	2456
<I/σ(I)>	22.6	1.4
Completeness [%]	100.0
Redundancy	8.3	8.2
CC(1/2)	0.996	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	21-27.5% w/v PEG1500, 0.1 M MMT, pH 5.75-6.25