1PXJ

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-01
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.736, 71.704, 72.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.300
R-factor	0.209
Rwork	0.209
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hcl
RMSD bond length	0.006
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.039	0.144
Total number of observations	151851 *
Number of reflections	12709
<I/σ(I)>	20.54	5.37
Completeness [%]	98.5	98.7
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-8 (mg/ml)
2	1	reservoir	PEG6000	15 (%)
3	1	reservoir	sodium HEPES	100 (mM)	pH7.8-8.2