6RXS

Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) 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	2018-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97792876162
Spacegroup name	C 1 2 1
Unit cell lengths	90.190, 79.050, 39.870
Unit cell angles	90.00, 110.77, 90.00

Refinement procedure

Resolution	42.165 - 1.599
R-factor	0.1799
Rwork	0.179
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1S5P
RMSD bond length	0.010
RMSD bond angle	1.288
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]	42.165	42.165	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.101	0.047	0.718
Rmeas	0.110	0.051	0.777
Total number of observations	222321
Number of reflections	34254	409	2536
<I/σ(I)>	17.56	56.91	3.02
Completeness [%]	98.9	98.6	99
Redundancy	6.49	6.694	6.947
CC(1/2)	0.998	0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1M Bis-Tris, 0.03 M HCl, 23% PEG3350