4G38
Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.327, 76.171, 81.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.767 - 1.560 |
| R-factor | 0.1414 |
| Rwork | 0.140 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.656 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.560 | 5.700 | 1.560 |
| Rmerge | 0.055 | 0.091 | 0.214 |
| Number of reflections | 57746 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 97.6 | 94.4 | 91.8 |
| Redundancy | 5 | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 65 mM KPi/22% PEG 8000, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
