1RHS
SULFUR-SUBSTITUTED RHODANESE
Experimental procedure
Temperature [K] | 100 |
Detector technology | IMAGE PLATE AREA DETECTOR |
Collection date | 1996-07 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.364, 49.312, 41.676 |
Unit cell angles | 90.00, 99.81, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.360 |
R-factor | 0.159 |
R-free | 0.22890 |
RMSD bond length | 0.030 |
RMSD bond angle | 0.030 |
Data reduction software | XDS |
Data scaling software | MARSCALE |
Phasing software | SHELXL-93 |
Refinement software | SHELXL-93 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.400 |
High resolution limit [Å] | 1.360 | 1.360 * |
Rmerge | 0.067 | 0.330 |
Total number of observations | 131477 * | |
Number of reflections | 56060 | 10176 * |
<I/σ(I)> | 22.6 | 3.7 |
Completeness [%] | 74.0 | 45 |
Redundancy | 2.2 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.4 * | 20 * | pH 7.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.9 (M) | |
2 | 1 | reservoir | sodium phosphate | 30 (mM) |