3F0P
Crystal structure of the mercury-bound form of MerB, the Organomercurial Lyase involved in a bacterial mercury resistance system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-21 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.372, 89.203, 51.585 |
| Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
| Resolution | 19.470 - 1.640 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Number of reflections | 40293 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 96.6 | 93.2 |
| Redundancy | 3.9 | 3.5 |
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 |
