9OB3

CDK2/CyclinE bound to compound 16 with P-loop in the EE conformation

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	101.160, 101.160, 151.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.060 - 1.980
R-factor	0.2199
Rwork	0.219
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.640
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]	151.070	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.067
Rmeas	0.070
Rpim	0.019
Number of reflections	55305	3826
<I/σ(I)>	25.3	1.2
Completeness [%]	100.0
Redundancy	25.6
CC(1/2)	0.999	0.383

Crystallization Conditions

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