3MM5
Dissimilatory sulfite reductase in complex with the substrate sulfite
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 | 2007-04-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99989 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.600, 68.900, 145.100 |
| Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| R-factor | 0.15982 |
| Rwork | 0.158 |
| R-free | 0.18766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3C7B |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.776 |
| 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] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.140 | 0.583 |
| <I/σ(I)> | 7.04 | 2.54 |
| Completeness [%] | 98.5 | 94.4 |
| Redundancy | 3.64 | 3.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% PEG 4000, 100 mM Na-citrate, 0.2 M NaCl, 5% (v/v) 2-propanol, 50 mM Na2SO3, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
