6T6Y
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972420 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.986, 80.109, 89.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.710 - 1.400 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.18230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t6h |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.425 |
| 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] | 44.710 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.069 | 0.800 |
| Number of reflections | 47303 | 2324 |
| <I/σ(I)> | 14.5 | 2.6 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |
