9MK1

Crystal structure of WRN helicase with bound compound 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	95
Detector technology	PIXEL
Collection date	2023-11-06
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	57.820, 57.750, 133.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.060 - 2.120
R-factor	0.22987
Rwork	0.228
R-free	0.26659
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.348
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]	53.060	2.150
High resolution limit [Å]	2.120	2.120
Number of reflections	26085	1251
<I/σ(I)>	12.1
Completeness [%]	99.4
Redundancy	7.3	6.6
CC(1/2)	0.997	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	24.5% w/v PEG1500, 0.1 M MMT, pH 6.0