5FA9
Bifunctional Methionine Sulfoxide Reductase AB (MsrAB) from Treponema denticola
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97960 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.956, 95.584, 81.390 |
| Unit cell angles | 90.00, 116.24, 90.00 |
Refinement procedure
| Resolution | 29.634 - 2.302 |
| R-factor | 0.2062 |
| Rwork | 0.205 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e0m |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.571 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.081 | 0.353 |
| Number of reflections | 42971 | |
| <I/σ(I)> | 23.2 | 2.37 |
| Completeness [%] | 97.3 | 92.7 |
| Redundancy | 4.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 0.2 M sodium chloride, 0.1 M sodium potassium phosphate buffer (pH 6.2), 50% polyethylene glycol 200 |
