9D0U

Crystal structure of CDK2 in complex with Cpd 2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	53.720, 71.680, 72.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 2.600
R-factor	0.2119
Rwork	0.209
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.607
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.257	1.226
Number of reflections	8855	2677
<I/σ(I)>	5.7	2.4
Completeness [%]	98.5
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16% PEG 20000