5U82
Crystal structure of a MerB-triethyltin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-30 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.572, 88.934, 54.575 |
| Unit cell angles | 90.00, 98.28, 90.00 |
Refinement procedure
| Resolution | 46.162 - 1.851 |
| R-factor | 0.1947 |
| Rwork | 0.191 |
| R-free | 0.24200 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.164 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1-2155_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.850 |
| Number of reflections | 30235 |
| <I/σ(I)> | 8.51 |
| Completeness [%] | 97.0 |
| Redundancy | 2.6 |
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. |
