3MMH
X-ray structure of free methionine-R-sulfoxide reductase from neisseria meningitidis in complex with its substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.886 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.320, 39.480, 52.250 |
| Unit cell angles | 104.17, 105.16, 100.50 |
Refinement procedure
| Resolution | 20.000 - 1.250 |
| R-factor | 0.12 |
| Rwork | 0.118 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.286 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.230 | |
| High resolution limit [Å] | 1.200 | 5.360 | 1.200 |
| Rmerge | 0.039 | 0.024 | 0.418 |
| Number of reflections | 75066 | 944 | 2465 |
| <I/σ(I)> | 19.91 | 37.9 | 3.1 |
| Completeness [%] | 84.4 | 93.1 | 37.4 |
| Redundancy | 8.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 293 | 23% MPD, 120 mM Mg(CH3COO)2, 100 mM cacodylate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
