6RXK

Crystal structure of CobB wt in complex with H4K16-Butyryl 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	92.730, 92.730, 58.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.365 - 1.350
R-factor	0.1704
Rwork	0.170
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1S5P
RMSD bond length	0.012
RMSD bond angle	1.417
Data reduction software	XDS (VERSION JAN 31, 2018)
Data scaling software	XSCALE (VERSION JAN 31, 2018)
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.365	46.365	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.090	0.063	2.586
Rmeas	0.092	0.064	2.638
Total number of observations	1435397
Number of reflections	57070	746	4152
<I/σ(I)>	18.96	54.19	1.56
Completeness [%]	100.0	99.7	99.9
Redundancy	25.152	24.201	25.597
CC(1/2)	0.999	0.999	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	22% PEG 3350 0.1M Bis-Tris 0.03 mM HCL