9ESL

CDK2-cyclin A in complex with FragLite 29

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	2020-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89842
Spacegroup name	P 21 21 21
Unit cell lengths	74.132, 134.211, 147.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.573 - 2.392
Rwork	0.217
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.509
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]	134.210	134.210	2.450
High resolution limit [Å]	2.380	10.370	2.380
Rmerge	0.120	0.029	1.351
Rmeas	0.129	0.031	1.461
Rpim	0.048	0.011	0.551
Number of reflections	58464	841	4578
<I/σ(I)>	13.2	49.4	1.7
Completeness [%]	97.5	99.8	100
Redundancy	13.7	12	13.5
CC(1/2)	0.999	1.000	0.759

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