6VJP
Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99961 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.347, 61.303, 67.690 |
Unit cell angles | 90.00, 100.90, 90.00 |
Refinement procedure
Resolution | 28.778 - 1.711 |
R-factor | 0.1676 |
Rwork | 0.166 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | OatA Zn |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.780 | 1.773 |
High resolution limit [Å] | 1.711 | 1.711 |
Number of reflections | 36587 | 3545 |
<I/σ(I)> | 17.32 | 1.97 |
Completeness [%] | 99.4 | 96.12 |
Redundancy | 1.96 | 1.9 |
CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 27% PEG 6000, 0.015 M sodium citrate |