1BOH
SULFUR-SUBSTITUTED RHODANESE (ORTHORHOMBIC FORM)
Experimental procedure
| Temperature [K] | 297 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-10 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.740, 72.350, 39.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.000 - 2.300 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rhs |
| RMSD bond length | 0.013 |
| RMSD bond angle | 24.600 * |
| Data reduction software | XENGEN |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.83) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.340 |
| Total number of observations | 60362 * | |
| Number of reflections | 10362 | |
| Completeness [%] | 78.8 | 13.4 |
| Redundancy | 5.9 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.3 | 4 * | pH 7.3 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | PEG6000 | 10 (%(w/v)) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | sodium acetate | 50 (mM) | |
| 5 | 1 | drop | sodium thiosulfate | 1 (mM) | |
| 6 | 1 | reservoir | PEG6000 | 16 (%(w/v)) | |
| 7 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 8 | 1 | reservoir | sodium acetate | 50 (mM) | |
| 9 | 1 | reservoir | sodium thiosulfate | 1 (mM) |
