9ET4

CDK2-cyclin A in complex with FragLite 9

This is a non-PDB format compatible entry.

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	73.832, 133.200, 147.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.928 - 2.641
Rwork	0.220
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.625
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]	133.200	133.200	2.720
High resolution limit [Å]	2.620	9.800	2.620
Rmerge	0.300	0.066	2.803
Rmeas	0.323	0.071	3.011
Rpim	0.120	0.026	1.098
Number of reflections	43095	981	4611
<I/σ(I)>	6.2	21.5	0.7
Completeness [%]	96.9
Redundancy	13.6	12.3	14.4
CC(1/2)	0.994	0.999	0.718

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