3MY5

CDk2/cyclinA in complex with DRB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	74.260, 134.260, 148.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.526 - 2.100
R-factor	0.1821
Rwork	0.180
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bht omitting the inhibitor
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.550	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.098	0.595
Number of reflections	87151
<I/σ(I)>	4.6	2.6
Completeness [%]	99.9	100
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	1.1M Ammonium Sulphate, 100mM Hepes pH 7.0, 5mM DTT, saturated DRB, VAPOR DIFFUSION, HANGING DROP, temperature 277K