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 |