2W06

Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-12-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	53.643, 72.620, 71.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	200.000 - 2.040
Rwork	0.205
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE CDK2 STRUCTURE
RMSD bond length	0.006
RMSD bond angle	1.310
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.160	2.150
High resolution limit [Å]	2.050	2.040
Rmerge	0.050	0.290
Number of reflections	17949
<I/σ(I)>	15.6	4.3
Completeness [%]	97.5	91.7
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE