4PFA
Crystal structure of M. tuberculosis in complex with BTO - covalent adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.856, 82.013, 81.148 |
| Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
| Resolution | 48.910 - 2.560 |
| R-factor | 0.25909 |
| Rwork | 0.257 |
| R-free | 0.30668 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.128 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.710 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Number of reflections | 28265 | |
| <I/σ(I)> | 11.93 | 2.12 |
| Completeness [%] | 95.2 | 80.3 |
| Redundancy | 2.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 100 mM imidazole, 34% polypropyleneglycol 400 |
