3MM9
Dissimilatory sulfite reductase nitrite complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.960, 69.090, 145.550 |
| Unit cell angles | 90.00, 107.46, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.18294 |
| Rwork | 0.181 |
| R-free | 0.21922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3C7B |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.175 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.6.0046) |
| Refinement software | REFMAC (5.6.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 138.840 | 2.130 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.103 | 0.520 |
| <I/σ(I)> | 10.82 | 2.67 |
| Completeness [%] | 80.7 | 46.1 |
| Redundancy | 2.75 | 1.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 291 | 20% PEG 4000, 100 mM Na-citrate, 0.2 M NaCl, 5% (v/v) 2-propanol, 50 mM NaNO2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
