3QQL

CDK2 in complex with inhibitor L3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2007-02-23
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	53.303, 71.169, 72.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.630 - 1.850
R-factor	0.184
Rwork	0.184
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pw2
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.081	0.261
Number of reflections	23983
<I/σ(I)>	34.06	5.55
Completeness [%]	99.4	99.7
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K