6RXP

Crystal structure of CobB Ac2 (A76G,I131C,V162A) 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 21 21 21
Unit cell lengths	57.560, 91.890, 95.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.950 - 1.800
R-factor	0.1942
Rwork	0.192
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1S5P
RMSD bond length	0.007
RMSD bond angle	1.116
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]	47.950	47.950	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.085	0.044	1.421
Rmeas	0.088	0.046	1.482
Total number of observations	603730
Number of reflections	47854	613	3481
<I/σ(I)>	15.26	41.26	1.97
Completeness [%]	100.0	99.4	99.9
Redundancy	12.616	12.393	12.439
CC(1/2)	0.999	0.999	0.835

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