1OIY

Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-10
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	73.997, 134.872, 147.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.400
Rwork	0.244
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h1s
RMSD bond length	0.016
RMSD bond angle	1.724
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.140	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.105	0.280
Number of reflections	53738
<I/σ(I)>	5.0142	2.56
Completeness [%]	92.3	80.3
Redundancy	2.27	1.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.7-0.85 M POTASSIUM CHLORIDE, 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0, 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT