6RXO
Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl 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 | 60.490, 92.440, 94.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.225 - 1.950 |
R-factor | 0.1981 |
Rwork | 0.197 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1S5P |
RMSD bond length | 0.004 |
RMSD bond angle | 0.882 |
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] | 47.225 | 47.225 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.080 | 0.031 | 1.699 |
Rmeas | 0.083 | 0.032 | 1.768 |
Total number of observations | 514125 | ||
Number of reflections | 39331 | 509 | 2868 |
<I/σ(I)> | 18.02 | 57.91 | 1.72 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 13.072 | 11.473 | 13.055 |
CC(1/2) | 0.999 | 0.999 | 0.753 |
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 |