6T6X
Structure of the Bottromycin epimerase BotH in complex with substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033200 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.655, 80.285, 89.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.770 - 1.250 |
| R-factor | 0.1666 |
| Rwork | 0.166 |
| R-free | 0.17520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t6h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.229 |
| 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] | 44.770 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.078 | 0.725 |
| Number of reflections | 65761 | 3355 |
| <I/σ(I)> | 11.4 | 4.2 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |
