6GEP
SULFITE REDUCTASE HEMOPROTEIN NITRIC OXIDE COMPLEX REDUCED WITH PROFLAVINE EDTA
Experimental procedure
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1995-03-02 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.800, 77.400, 87.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.177 |
Rwork | 0.177 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aop |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.066 * | 0.230 * |
Number of reflections | 42123 | |
<I/σ(I)> | 29.1 | 4.2 |
Completeness [%] | 96.8 | 95.6 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.7 | pH 7.7 OXIDIZED CRYSTALS WERE PHOTOREDUCED WITH PROFLAVINE EDTA, SIROHEME HAS FEII AND [4FE-4S] CLUSTER IS +2. NITRIC OXIDE IS BOUND TO THE SIROHEME IRON THROUGH NITROGEN. THIS IS NAMED HP-NO IN THE PRIMARY REFERENCE. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | reservoir | potassium phosphate | 65 (mM) | |
3 | 1 | reservoir | EDTA | 0.1 (M) | |
4 | 1 | reservoir | PEGMW8000 | 15 (%) |