5VDK

Crystal structure of human WEE2 kinase domain in complex with MK1775

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2015-05-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	68.810, 68.810, 58.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.794 - 2.700
R-factor	0.2281
Rwork	0.225
R-free	0.28430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x8b
RMSD bond length	0.003
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.794	18.794	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.097	0.051	0.570
Rmeas	0.109	0.057	0.646
Number of reflections	8422	72	640
<I/σ(I)>	12.39	23.85	3.4
Completeness [%]	99.7	75.8	100
Redundancy	4.374	4.319	4.439
CC(1/2)	0.995	0.993	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	14 MG/ML WEE2, 25 mM TRIS PH 8.0, 1 mM DTT, 0.2 M ammonium phosphate monobasic, 1.5 mM MK1775