6RXM

Crystal structure of CobB Ac2 (A76G, I131C, V162G) 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 PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	92.300, 95.380, 168.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.469 - 1.920
R-factor	0.2046
Rwork	0.204
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1S5P
RMSD bond length	0.010
RMSD bond angle	1.300
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]	48.469	48.469	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge	0.120	0.064	1.378
Rmeas	0.125	0.067	1.438
Total number of observations	1478073
Number of reflections	114176	1421	8343
<I/σ(I)>	13.87	37.25	1.96
Completeness [%]	100.0	99	100
Redundancy	12.946	11.493	12.446
CC(1/2)	0.998	0.998	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Bis-Tris, 0.03 HCl, 23% PEG3350