6RXL

Crystal structure of CobB wt in complex with H4K16-Crotonyl peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	93.960, 93.960, 58.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.980 - 2.300
R-factor	0.2155
Rwork	0.211
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1S5P
RMSD bond length	0.003
RMSD bond angle	0.762
Data reduction software	XDS (VERSION JAN 31, 2018)
Data scaling software	XSCALE (VERSION JAN 31, 2018)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.980	46.980	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.098	0.049	1.749
Rmeas	0.100	0.051	1.785
Total number of observations	310153
Number of reflections	12129	170	881
<I/σ(I)>	23.91	65.69	2.51
Completeness [%]	100.0	98.8	100
Redundancy	25.571	19.129	25.7
CC(1/2)	0.999	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1 M Bis-Tris 22% PEG 3350 0.03 M HCl