9GNO

Crystal structure of CDK2 bound by compound 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	52.947, 71.134, 72.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.240 - 1.160
R-factor	0.204
Rwork	0.203
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.230
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.672	1.270
High resolution limit [Å]	1.160	1.160
Rmeas	0.055	1.210
Number of reflections	70554	22993
<I/σ(I)>	10.7	1.7
Completeness [%]	99.7
Redundancy	6.3	4.8
CC(1/2)	0.998	0.254

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8.5% PEG3350, 0.1M HEPES pH 7.5