9ESX

CDK2-cyclin A in complex with FragLite 17

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	74.124, 133.905, 147.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.901 - 2.370
Rwork	0.222
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.582
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]	147.580	147.580	2.440
High resolution limit [Å]	2.370	10.060	2.370
Rmerge	0.172	0.037	2.064
Rmeas	0.185	0.040	2.234
Rpim	0.050	0.011	0.624
Number of reflections	56614	927	4906
<I/σ(I)>	10.6	39	1.2
Completeness [%]	93.5	99.9	100
Redundancy	13.5	12.2	13.2
CC(1/2)	0.998	1.000	0.568

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