4Y72

Human CDK1/CyclinB1/CKS2 With Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97957
Spacegroup name	P 21 21 21
Unit cell lengths	65.166, 68.646, 166.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.000 - 2.300
R-factor	0.1895
Rwork	0.186
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hck 2b9r 1jst
RMSD bond length	0.012
RMSD bond angle	1.568
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.086	0.778
Number of reflections	34085
<I/σ(I)>	13.7	2.4
Completeness [%]	99.9	99.9
Redundancy	6.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	277	Conditions around 0.1M MES/imidazole buffer (pH6.7), 6.5% MPD, 5% PEG4K, 10% PEG1K Protein at 10-12 mg/ml