5DSF
Crystal structure of the mercury-bound form of MerB mutant D99S
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 | 2011-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.680, 88.349, 52.671 |
| Unit cell angles | 90.00, 100.93, 90.00 |
Refinement procedure
| Resolution | 36.996 - 1.954 |
| R-factor | 0.1687 |
| Rwork | 0.165 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0o |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.024 |
| High resolution limit [Å] | 1.954 | 1.954 |
| Rmerge | 0.077 | 0.584 |
| Number of reflections | 24336 | |
| <I/σ(I)> | 12.14 | |
| Completeness [%] | 99.1 | 96.81 |
| Redundancy | 3.7 | 3.5 |
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 2000 MME was used as a cryo-protectant |
