6T70
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
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 | 2018-03-02 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000031 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.544, 79.430, 88.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.220 - 1.580 |
| R-factor | 0.1678 |
| Rwork | 0.166 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t6h |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.254 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.220 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.060 | 0.712 |
| Number of reflections | 32388 | 1560 |
| <I/σ(I)> | 13.5 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |
