1NWA
Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.550, 64.110, 73.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.500 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ff3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.529 |
| Data reduction software | CrystalClear |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.576 |
| Number of reflections | 30657 * | |
| <I/σ(I)> | 27.8 | 3.1 |
| Completeness [%] | 97.6 | 94.8 |
| Redundancy | 5.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 * | sodium formate, sodium citrate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium formate | 2.0 (M) | |
| 2 | 1 | reservoir | sodium citrate | 0.1 (M) | pH6.0 |
| 3 | 1 | drop | Tris-HCl | 25 (mM) | pH8.0 |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | TCEP-HCl | 1 (mM) | |
| 6 | 1 | drop | protein | 30 (mg/ml) |
