6YLK

Cdk2(F80C) with Covalent Adduct TK22 at F80C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	298
Detector technology	CCD
Collection date	2017-12-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	53.380, 71.100, 71.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.850 - 1.650
R-factor	0.2184
Rwork	0.216
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ek3
RMSD bond length	0.007
RMSD bond angle	0.945
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.850	1.709
High resolution limit [Å]	1.650	1.650
Number of reflections	33479	3308
<I/σ(I)>	6.36
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.996	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Protein solution: 8 mg/mL in 100 mM pH 6.2 phosphate buffer Reservoir solution: 8-12% PEG3350, 100 mM HEPES pH 7.5-8.15