9GP3

Crystal structure of CDK2-cyclin E1 bound by compound 11 (AZD8421)

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	2022-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 41 21 2
Unit cell lengths	100.629, 100.629, 150.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.580 - 2.450
R-factor	0.2352
Rwork	0.233
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
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]	83.580	2.650
High resolution limit [Å]	2.450	2.450
Number of reflections	22205	1110
<I/σ(I)>	17.9
Completeness [%]	95.1
Redundancy	13.2
CC(1/2)	1.000	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8-15% PEG3350 / 0.2M Na3Cit pH8.0