1KNC
Structure of AhpD from Mycobacterium tuberculosis, a novel enzyme with thioredoxin-like activity.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 108.318, 108.318, 233.582 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.216 * |
| Rwork | 0.216 |
| R-free | 0.24300 |
| Structure solution method | MIR |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 0.929 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.077 * | 0.313 * |
| Total number of observations | 1515540 * | |
| Number of reflections | 55072 | |
| <I/σ(I)> | 18 | 2.7 |
| Completeness [%] | 99.7 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.5-2.5M AmSO4, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.5-2.5 (M) |
