5ANJ

Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	53.670, 71.215, 72.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 1.600
R-factor	0.1982
Rwork	0.197
R-free	0.22919
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.024
RMSD bond angle	2.188
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.070
Number of reflections	37295
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350