9ET1

CDK2-cyclin A in complex with FragLite 12

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	73.971, 133.287, 147.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.739 - 2.394
Rwork	0.221
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.567
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]	133.290	133.290	2.420
High resolution limit [Å]	2.350	9.970	2.380
Rmerge	0.195	0.046	2.006
Rmeas	0.210	0.049	2.177
Rpim	0.078	0.018	0.838
Number of reflections	55046	933	4967
<I/σ(I)>	9.4	34.8	1.3
Completeness [%]	89.5	99.9	100
Redundancy	13.5	12.2	13
CC(1/2)	0.998	0.999	0.600

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