2C27
The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200B |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS-IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.830, 59.620, 61.670 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ozp |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.910 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.140 |
| Number of reflections | 24682 | |
| <I/σ(I)> | 14.2 | 7.6 |
| Completeness [%] | 96.7 | 94.3 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1 M NA3CITRATE PH 8.5 100 MM BICINE PH 8.8 7.7 MM DESACETYL-MYCOTHIOL 5.3 MM COENZYMEA 40 MM DTT |
