9GOP

Crystal structure of CDK2-cyclin E1 bound by compound 30

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 41 21 2
Unit cell lengths	102.291, 102.291, 153.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.290 - 2.158
R-factor	0.2315
Rwork	0.229
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.049	2.418
High resolution limit [Å]	2.158	2.158
Number of reflections	28057	1404
<I/σ(I)>	13.8
Completeness [%]	94.6
Redundancy	13.4
CC(1/2)	1.000	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8-15 % PEG3350, 0.2M Na3Cit pH 8.0