9ET5

CDK2-cyclin A in complex with FragLite 8

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	73.979, 133.588, 147.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.133 - 2.530
Rwork	0.200
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.626
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]	147.240	2.630
High resolution limit [Å]	2.530	2.530
Rmerge	0.129	0.904
Number of reflections	44792	5117
<I/σ(I)>	13.8	2.8
Completeness [%]	90.3	100
Redundancy	13.5	14.3
CC(1/2)	0.999	0.892

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