5MHQ

CCT068127 in complex with CDK2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	93
Detector technology	PIXEL
Collection date	2016-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	52.660, 71.150, 71.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.360 - 1.300
R-factor	0.19028
Rwork	0.189
R-free	0.22597
RMSD bond length	0.020
RMSD bond angle	1.961
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.150	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.124
Number of reflections	66489
<I/σ(I)>	3.2	0.4
Completeness [%]	100.0	99.9
Redundancy	7.1	6.8
CC(1/2)	0.980	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	10mg/ml CDK2 10% V/V PEG3350, 50 mM HEPES/NAOH, 50 mM NA/K PHOSPHATE, pH 7.5.