1MOP
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-04-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.266, 70.929, 81.825 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.600 |
| R-factor | 0.1919 |
| Rwork | 0.192 |
| R-free | 0.21100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iho |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.520 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.049 | 0.312 |
| Number of reflections | 64100 | |
| <I/σ(I)> | 36.4 | 4.4 |
| Completeness [%] | 89.1 | 51.1 |
| Redundancy | 6.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20 * | PEG3000, lithium sulfate, magnesium sulfate, imidazole, ethanol, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG3000 | 10-15 (%) | |
| 3 | 1 | reservoir | glycerol | 5 (%) | |
| 4 | 1 | reservoir | ethanol | 2 (%) | |
| 5 | 1 | reservoir | 20 (mM) | ||
| 6 | 1 | reservoir | 150 (mM) | ||
| 7 | 1 | reservoir | imidazole | 100 (mM) | pH8.0 |
