8ERN

Cyclin-free CDK2 in complex with Cpd21

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	2019-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	53.681, 72.655, 71.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.330 - 1.640
R-factor	0.2098
Rwork	0.207
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b39
RMSD bond length	0.007
RMSD bond angle	0.947
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]	51.040	1.670
High resolution limit [Å]	1.640	1.640
Rmerge		2.275
Rmeas		2.479
Rpim		0.977
Number of reflections	29490	1744
<I/σ(I)>	12.7	0.7
Completeness [%]	83.6	100
Redundancy	6.4	6.3
CC(1/2)	0.999	0.380

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