9OW9

Human WRN helicase in complex with allosteric ligand Compound 1

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]	100
Detector technology	PIXEL
Collection date	2023-08-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	58.141, 58.215, 133.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.410 - 2.340
R-factor	0.25028
Rwork	0.244
R-free	0.30114
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.379
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]	53.410	2.522
High resolution limit [Å]	2.340	2.342
Rmerge	0.116
Number of reflections	14840	742
<I/σ(I)>	10.7	1.4
Completeness [%]	75.3	53.3
Redundancy	8.2	9.1
CC(1/2)	0.987	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	23-24.5% w/v PEG1500, 100 mM MMT, pH 5.75-6.25