9OB5

CDK2/CyclinE bound to compound 20 with P-loop in the EE and CC conformations

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11582
Spacegroup name	P 41 21 2
Unit cell lengths	101.570, 101.570, 151.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.360 - 2.100
R-factor	0.2339
Rwork	0.233
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.415
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	151.480	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.078
Rmeas	0.082
Rpim	0.022
Number of reflections	46754	3747
<I/σ(I)>	21.1	0.9
Completeness [%]	99.7	99.1
Redundancy	25.9	27.4
CC(1/2)	1.000	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.115 M Sodium Citrate, 15% PEG 3350