5UQ1

Crystal structure of human Cdk2-Spy1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	273
Detector technology	CCD
Collection date	2016-03-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	75.359, 75.359, 325.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.111 - 3.201
R-factor	0.2079
Rwork	0.205
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.049
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]	46.111	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.170	0.800
Number of reflections	17634	8971
<I/σ(I)>	7.9	2.3
Completeness [%]	94.7	81.3
Redundancy	6.2	3.4
CC(1/2)	0.980	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	1M lithium chloride, 12% PEG 6000, and 0.1M MES pH 6.2, harvested and flash frozen in the same solution with 20% PEG 200.