6Q4C

CDK2 in complex with FragLite16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-09-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	52.963, 71.491, 71.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 1.730
R-factor	0.1821
Rwork	0.180
R-free	0.22267
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hck
RMSD bond length	0.009
RMSD bond angle	1.586
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.660	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.023	0.300
Number of reflections	26999	1301
<I/σ(I)>	29.7	3.2
Completeness [%]	93.6	86.9
Redundancy	3.2	2.3
CC(1/2)	1.000	0.880

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