9OB4

CDK2/CyclinE bound to compound 19 with P-loop in the EE and EC 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	101.530, 101.530, 150.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.180 - 1.950
R-factor	0.2112
Rwork	0.210
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.797
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]	150.560	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.093
Rmeas	0.096
Rpim	0.026
Number of reflections	58071	4025
<I/σ(I)>	18.5	0.4
Completeness [%]	100.0	100
Redundancy	25.5	26.4
CC(1/2)	1.000	0.179

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	P24864