3PXQ

CDK2 in complex with 3 molecules of 8-anilino-1-naphthalene sulfonate

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	2010-05-07
Detector	RIGAKU
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	52.850, 69.680, 72.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.540 - 1.900
R-factor	0.196
Rwork	0.196
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pw2
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.024	0.091
Number of reflections	21475
<I/σ(I)>	38	9
Completeness [%]	99.2	96
Redundancy	3.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2, 15% (v/v) PEG3350, 50 mM HEPES/NaOH; soaked 24 hrs in 15 mM ANS, 50 mM HEPES, 50 mM Na/K phosphate, 7.5% (v/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K