3F0O
Crystal structure of MerB, the Organomercurial Lyase involved in a bacterial mercury resistance system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.710, 89.947, 52.167 |
| Unit cell angles | 90.00, 100.53, 90.00 |
Refinement procedure
| Resolution | 19.670 - 1.760 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Preliminary protein model that is not in the PDB |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.974 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 33974 | |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 97.9 | 90 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 296 | 20% polyethylene glycol 2000 MME, 0.2 M sodium acetate pH 5.5, 0.2 M potassium bromide, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
