3C8Z
The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9486, 1.1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 123.521, 123.521, 186.026 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.090 - 1.600 |
| R-factor | 0.18594 |
| Rwork | 0.185 |
| R-free | 0.20668 |
| Structure solution method | SAD and Molecular Replacement |
| Starting model (for MR) | de novo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.656 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.090 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.062 | 0.349 |
| Number of reflections | 131763 | |
| <I/σ(I)> | 37 | 3.1 |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | under oil | 7.9 | 291 | 0.1 M HEPES pH 7.9, 2 M NH4SO4, 2% PEG400, under oil, temperature 291K |
