1OZP
Crystal Structure of Rv0819 from Mycobacterium tuberculosis MshD-Mycothiol Synthase Acetyl-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 | 59.900, 61.690, 84.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.090 - 1.700 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.950 * |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.028 * | 0.125 * |
| Number of reflections | 34340 | |
| <I/σ(I)> | 26.8 | |
| Completeness [%] | 97.5 * | 87.3 |
| Redundancy | 3.9 |
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) |
