6T6Z
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-17 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873130 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.716, 79.530, 89.032 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.520 - 1.700 |
| R-factor | 0.1712 |
| Rwork | 0.169 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t6h |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| 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] | 44.520 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.104 | 0.778 |
| Number of reflections | 26141 | 1362 |
| <I/σ(I)> | 10.5 | 2.4 |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |
