6RXJ

Crystal structure of CobB wt in complex with H4K16-Acetyl 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	C 2 2 21
Unit cell lengths	131.100, 131.260, 58.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.379 - 1.600
R-factor	0.1736
Rwork	0.173
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s5p
RMSD bond length	0.008
RMSD bond angle	1.111
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]	46.379	46.379	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.068	0.033	1.618
Rmeas	0.070	0.035	1.682
Total number of observations	868617
Number of reflections	66812	839	4841
<I/σ(I)>	18.83	57.82	1.6
Completeness [%]	99.9	99.5	99.5
Redundancy	13.001	12.035	13.17
CC(1/2)	0.999	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1M Bis-Tris, 0.03 M HCl, 22% PEG3350