9ET2

CDK2-cyclin A in complex with FragLite 11

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	73.839, 132.986, 146.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.774 - 2.370
Rwork	0.229
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.616
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]	146.870	146.870	2.430
High resolution limit [Å]	2.370	10.330	2.370
Rmerge	0.351	0.070	2.975
Number of reflections	57408	829	4479
<I/σ(I)>	7.1	21.8	1
Completeness [%]	96.6	99.8	99.1
Redundancy	13.6	12	13.5
CC(1/2)	0.993	0.998	0.411

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