1P0H
Crystal Structure of Rv0819 from Mycobacterium Tuberculosis MshD-Mycothiol Synthase Coenzyme A Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.800, 61.500, 84.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.020 - 1.600 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23700 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.040 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.037 * | 0.120 * |
| Number of reflections | 41010 | |
| <I/σ(I)> | 21.3 | |
| Completeness [%] | 97.8 | 93.6 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | 293 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5 (mg/ml) | |
| 2 | 1 | drop | CoA | 2.5 (mM) | |
| 3 | 1 | drop | PEG4000 | 5-10 (%(w/v)) | |
| 4 | 1 | drop | ADA | 100 (mM) | pH6.0 |
| 5 | 1 | reservoir | sucrose | 28 (%(w/v)) | |
| 6 | 1 | reservoir | ADA | 50 (mM) | pH6.0 |
| 7 | 1 | reservoir | PEG4000 | 10 (%) | |
| 8 | 1 | reservoir | 200 (mM) |
