8ERD

Cyclin-free CDK2 in complex with Cpd17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999
Spacegroup name	P 21 21 21
Unit cell lengths	53.744, 72.008, 72.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.920 - 1.330
R-factor	0.1996
Rwork	0.198
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b39
RMSD bond length	0.010
RMSD bond angle	1.112
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.920	1.350
High resolution limit [Å]	1.330	1.330
Rmerge	0.049	1.640
Rmeas	0.055	1.907
Rpim	0.022	0.950
Number of reflections	58747	2404
<I/σ(I)>	14.2	0.7
Completeness [%]	90.0
Redundancy	6
CC(1/2)	0.999	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	15-20% PEG 4K, 50mM Hepes pH 7.5 50mM Ammonium Acetate