1FVV

THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-03
Detector	MARRESEARCH
Spacegroup name	P 62 2 2
Unit cell lengths	184.952, 184.952, 212.832
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.21
Rwork	0.260
R-free	0.26000
RMSD bond length	0.009 *
RMSD bond angle	1.390 *
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.980
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.290
Total number of observations	541713 *
Number of reflections	50936
<I/σ(I)>	36
Completeness [%]	95.9	90.2
Redundancy	10	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	Shewchuk L., (2000) J. Med. Chem., 43, 133. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG3340	10 (%)