7KJS

Crystal structure of CDK2/cyclin E in complex with PF-06873600

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	95
Detector technology	PIXEL
Collection date	2016-10-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	100.304, 100.304, 149.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.380 - 2.187
R-factor	0.2305
Rwork	0.228
R-free	0.27760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1w98
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	BUSTER (2.11.7)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.300	2.300
High resolution limit [Å]	2.187	2.187
Rmerge	0.076	1.162
Rmeas	0.079	1.210
Rpim	0.022	0.335
Number of reflections	39969	5396
<I/σ(I)>	17.8	2.3
Completeness [%]	99.9	93.2
Redundancy	12.9	12.7
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	294.15	0.1 M MES pH 6, .18 M magnesium formate, and 9.0 % (w/v) PEG 20000