3TWP
Crystal structure of M. tuberculosis TrpD in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.689, 111.263, 81.118 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 81.120 - 1.830 |
| R-factor | 0.19551 |
| Rwork | 0.193 |
| R-free | 0.23759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.428 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 111.263 | 111.263 | 1.930 |
| High resolution limit [Å] | 1.830 | 5.780 | 1.830 |
| Rmerge | 0.019 | 0.240 | |
| Number of reflections | 118766 | ||
| <I/σ(I)> | 15.3 | 26.9 | 2.8 |
| Completeness [%] | 96.4 | 98.2 | 76.8 |
| Redundancy | 3.6 | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2M cacodylate, 10% PEG-6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
