2IW9

STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-23
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	73.758, 134.100, 148.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.000
R-factor	0.212
Rwork	0.210
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h1s
RMSD bond length	0.012
RMSD bond angle	1.294
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.100	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.350
Number of reflections	97458
<I/σ(I)>	6	1.4
Completeness [%]	98.1	96.7
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		THE DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT