5C17
Crystal structure of the mercury-bound form of MerB2
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 | 2013-06-15 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.290, 53.421, 47.719 |
| Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
| Resolution | 29.460 - 1.240 |
| R-factor | 0.143 |
| Rwork | 0.142 |
| R-free | 0.16100 |
| Structure solution method | SAD, MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.254 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.076 | 0.482 |
| Number of reflections | 56523 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 96.5 | 73.1 |
| Redundancy | 3.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 1.8 M ammonium citrate tribasic pH 7.0. Before flash freezing, 10% glycerol was added as a cryo-protectant. |
