9ESN

CDK2-cyclin A in complex with FragLite 28

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	74.176, 134.163, 147.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.582 - 2.393
Rwork	0.209
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.615
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]	147.950	147.950	2.450
High resolution limit [Å]	2.380	10.100	2.380
Rmerge	0.190	0.041	2.695
Rmeas	0.205	0.044	2.914
Rpim	0.076	0.016	1.105
Number of reflections	56963	915	4829
<I/σ(I)>	8.9	36.2	0.9
Completeness [%]	94.9	99.9	100
Redundancy	13.5	12.2	13.4
CC(1/2)	0.998	1.000	0.482

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