5U88
Crystal structure of a MerB-triimethyllead complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.467, 88.789, 54.734 |
| Unit cell angles | 90.00, 97.87, 90.00 |
Refinement procedure
| Resolution | 38.105 - 1.801 |
| R-factor | 0.1781 |
| Rwork | 0.175 |
| R-free | 0.21770 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.275 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 33653 |
| <I/σ(I)> | 13.57 |
| Completeness [%] | 99.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 23 % polyethylene glycol 2000 MME, 0.2 M sodium acetate pH 5.5, 0.2 M potassium bromide. Before flash freezing, the same precipitant was used except 25% polyethylene glycol MME was used as a cryo-protectant. |
