3TIZ

CDK2 in complex with NSC 111848

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2011-05-12
Detector	RIGAKU RAXIS HTC
Spacegroup name	P 21 21 21
Unit cell lengths	53.200, 71.880, 72.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.719 - 2.020
Rwork	0.193
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fin
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.020	2.020
Rmerge	0.084	0.333
Number of reflections	18724
<I/σ(I)>	20.8	4.9
Completeness [%]	99.8	100
Redundancy	6.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 1.5 mM NSC 111848, 15% (v/v) Jeffamine ED-2001 (pH 7.5) and 100 mM VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K