9ETA

CDK2-cyclin A in complex with FragLite 3

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	74.164, 133.630, 147.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.282 - 2.512
Rwork	0.218
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.685
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.282	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.146	1.051
Number of reflections	51613	4396
<I/σ(I)>	11.7	2.2
Completeness [%]	100.0	100
Redundancy	13.5	13.7
CC(1/2)	0.998	0.851

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