4BCP

Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	73.810, 134.553, 149.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.684 - 2.260
R-factor	0.1828
Rwork	0.181
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.702
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	2.380
High resolution limit [Å]	2.260	2.260
Rmerge	0.070	0.500
Number of reflections	69656
<I/σ(I)>	8.91	1.58
Completeness [%]	99.2	96.6
Redundancy	4.42	4.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.