9D0S

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	71.360, 71.360, 157.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.640
Rwork	0.184
R-free	0.22200
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	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.077	0.709
Rmeas	0.085	0.784
Rpim	0.035	0.327
Number of reflections	50205	7272
<I/σ(I)>	11.9	2.2
Completeness [%]	99.2	99.9
Redundancy	5.6	5.7
CC(1/2)	0.998	0.853

Crystallization Conditions

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