6YL1

Cdk2(F80C) with Covalent Adduct TK37 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]	100
Detector technology	CCD
Collection date	2018-06-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	53.340, 71.240, 71.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.710 - 1.660
Rwork	0.221
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ek3
RMSD bond length	0.007
RMSD bond angle	0.972
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]	36.710	1.719
High resolution limit [Å]	1.660	1.660
Rmerge	0.062
Number of reflections	32900	3244
<I/σ(I)>	7.81
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.995	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Protein: 8 mg/mL in pH 6.2 phosphate buffer Resovoir: 8-12% PEG3350, HEPES 0.1 M (pH 7.5-8.5) 1:1