4PFD
Crystal structure of M. tuberculosis in complex with a cBT - non-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) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.521, 84.129, 90.149 |
| Unit cell angles | 90.00, 100.73, 90.00 |
Refinement procedure
| Resolution | 48.020 - 2.300 |
| R-factor | 0.2107 |
| Rwork | 0.209 |
| R-free | 0.23614 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.054 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 36486 | |
| <I/σ(I)> | 8.34 | 2.32 |
| Completeness [%] | 97.0 | 94.3 |
| Redundancy | 2.48 | 2.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 34% polypropyleneglycol 400, 100 mM imidazole |
