9BJC

Crystal structure of CDK2/Cyclin E1 in complex with XC208

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 32 2 1
Unit cell lengths	76.332, 76.332, 258.708
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.120 - 2.220
R-factor	0.195
Rwork	0.194
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.895
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.140	2.280
High resolution limit [Å]	2.220	2.220
Rmerge	0.217	2.775
Rmeas	0.227	2.911
Rpim	0.068	0.870
Number of reflections	44428	3221
<I/σ(I)>	6.8
Completeness [%]	100.0
Redundancy	11	10.9
CC(1/2)	0.986	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M Tris pH 7.5, 3.6M NaCl