6Q49

CDK2 in complex with FragLite6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.916
Spacegroup name	P 21 21 21
Unit cell lengths	53.069, 72.530, 71.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.870 - 1.000
R-factor	0.17629
Rwork	0.175
R-free	0.19718
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hck
RMSD bond length	0.018
RMSD bond angle	2.150
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.530	1.020
High resolution limit [Å]	1.000	1.000
Rmerge	0.050	1.910
Number of reflections	149763	7405
<I/σ(I)>	11.4	0.6
Completeness [%]	99.9	99.3
Redundancy	6.6	4.3
CC(1/2)	0.990	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5