5K4J

Crystal Structure of CDK2 in complex with compound 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2015-10-28
Detector	RAYONIX MX300HE
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	53.646, 71.681, 72.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.912 - 1.600
R-factor	0.18
Rwork	0.175
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.889
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Number of reflections	37421
<I/σ(I)>	12.7
Completeness [%]	98.4
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	20% PEG 4K, 50 mM Hepes pH7.5, 50 mM Ammonia Acetate