9OB2

CDK2/CyclinE bound to compound 11 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	101.140, 101.140, 150.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.020 - 2.120
R-factor	0.2215
Rwork	0.220
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.428
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]	150.910	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.101
Rmeas	0.105
Rpim	0.028
Number of reflections	45192	3642
<I/σ(I)>	18.4	0.358
Completeness [%]	100.0	100
Redundancy	25.7	27.2
CC(1/2)	1.000	0.358

Crystallization Conditions

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