1X8B

Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	173
Detector technology	CCD
Collection date	2001-11-29
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	69.782, 69.782, 157.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.140 - 1.810
R-factor	0.219
Rwork	0.218
R-free	0.23700
Structure solution method	SIRAS
RMSD bond length	0.022
RMSD bond angle	2.099
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.082	0.362
Number of reflections	34834
<I/σ(I)>	23	2.6
Completeness [%]	95.0	92.3
Redundancy	21

Crystallization Conditions

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