5ANE

Crystal structure of CDK2 in complex with 6-methoxy-7H-purine 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	52.636, 71.320, 72.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.20666
Rwork	0.204
R-free	0.25178
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.019
RMSD bond angle	1.962
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.730
High resolution limit [Å]	1.700
Rmerge	0.120
Number of reflections	30471
<I/σ(I)>	2.3
Completeness [%]	99.8
Redundancy	7.3

Crystallization Conditions

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