9D0R

Crystal structure of human Wee1 kinase domain in complex with inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91840
Spacegroup name	P 41 21 2
Unit cell lengths	69.571, 69.571, 157.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.010 - 2.340
Rwork	0.214
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM (7.3.0)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.470
High resolution limit [Å]	2.340	2.340
Rmerge	0.173	0.739
Rmeas	0.182	0.772
Rpim	0.055	0.220
Number of reflections	16942	2404
<I/σ(I)>	9.5	3.4
Completeness [%]	99.1	99.2
Redundancy	11.2	11.9
CC(1/2)	0.987	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	hepes, sodium chloride, pH 7.5