6F8B
LasB bound to thiol based inhibitor
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 | 2016-07-15 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.293, 89.998, 41.857 |
| Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
| Resolution | 44.999 - 1.300 |
| R-factor | 0.1435 |
| Rwork | 0.143 |
| R-free | 0.15850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.220 | 1.346 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.029 | 0.192 |
| Number of reflections | 64739 | |
| <I/σ(I)> | 17.78 | |
| Completeness [%] | 97.0 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 291 | 0.2 M Magnesium chloride, 30% (w/v) PEG 3350 |
