6T6H
Apo structure of the Bottromycin epimerase BotH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-06 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.97794 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.683, 80.133, 88.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.260 - 1.180 |
| R-factor | 0.1574 |
| Rwork | 0.157 |
| R-free | 0.16800 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.139 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.260 | 1.200 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.035 | 0.634 |
| Number of reflections | 77123 | 5273 |
| <I/σ(I)> | 21.4 | 2.5 |
| Completeness [%] | 98.7 | 93.5 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |
