3MMB
Dissimilatory sulfite reductase in complex with the endproduct sulfide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.999998 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.800, 68.500, 146.500 |
Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.25717 |
Rwork | 0.255 |
R-free | 0.30187 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3C7B |
RMSD bond length | 0.013 |
RMSD bond angle | 1.798 |
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 | 2.500 |
High resolution limit [Å] | 2.300 | 2.400 |
Rmerge | 0.126 | 0.326 |
<I/σ(I)> | 8.55 | 4.2 |
Completeness [%] | 91.7 | 91.4 |
Redundancy | 2.54 | 2.15 |
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, 10 mM Na2S, 10 mM Cr(II) EDTA , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |