5UQ3

Crystal structure of human Cdk2-Spy1-P27 ternary 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	2016-07-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	124.650, 124.650, 88.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.975 - 3.600
R-factor	0.2512
Rwork	0.243
R-free	0.32370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.022
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]	68.440	3.940
High resolution limit [Å]	3.600	3.600
Rmerge	0.190	0.940
Number of reflections	9501	2220
<I/σ(I)>	6.5	2
Completeness [%]	100.0	100
Redundancy	7	7
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	5% PEG 6000, 0.1M MES pH 5.0