9ESZ

CDK2-cyclin A in complex with FragLite 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91839
Spacegroup name	P 21 21 21
Unit cell lengths	74.093, 133.704, 147.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.316 - 2.420
Rwork	0.212
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.643
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	147.710	147.710	2.490
High resolution limit [Å]	2.420	9.980	2.420
Rmerge	0.056	0.026	0.380
Rmeas	0.060	0.028	0.409
Rpim	0.016	0.008	0.109
Number of reflections	52416	924	4878
<I/σ(I)>	28.7	68.5	6.9
Completeness [%]	92.2	99.1	100
Redundancy	13.4	11.6	14
CC(1/2)	1.000	1.000	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0