1M4D
Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Tobramycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.700, 86.600, 98.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m44 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.036 * | 0.238 * |
| Number of reflections | 38420 | |
| <I/σ(I)> | 20.5 | 4.9 |
| Completeness [%] | 97.4 * | 92 * |
| Redundancy | 4.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | Ammonium Sulfate, ADA, Coenzyme A, Tobramycin, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | CoA | 20 (mM) | |
| 2 | 1 | 1 | aminoglycoside | 20 (mM) | |
| 3 | 1 | 1 | ADA | 100 (mM) | pH6.5 |
| 4 | 1 | 1 | ammonium sulfate | 0.8 (M) |
