5AOP
SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1
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 | 1996-01-12 |
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 - 2.200 |
R-factor | 0.164 |
Rwork | 0.164 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.096 * | 0.303 * |
Number of reflections | 24568 | |
<I/σ(I)> | 12.2 | 3.7 |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.7 * | macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG MW 8000 | 11 (%) |