5UQ2

Crystal structure of human Cdk2-Spy1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	273
Detector technology	PIXEL
Collection date	2016-07-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	120.910, 120.910, 77.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.496 - 2.700
R-factor	0.2185
Rwork	0.212
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.756
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.500	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.110	1.280
Number of reflections	16255	2107
<I/σ(I)>	12.6	2
Completeness [%]	99.9	100
Redundancy	8	8
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1M lithium chloride, 12% PEG 6000, and 0.1M MES pH 6.2