4P8L
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c
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 | 2013-06-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.946, 83.149, 80.524 |
| Unit cell angles | 90.00, 102.79, 90.00 |
Refinement procedure
| Resolution | 49.100 - 2.020 |
| R-factor | 0.19504 |
| Rwork | 0.193 |
| R-free | 0.22784 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.221 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.100 | 2.150 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 123579 | |
| <I/σ(I)> | 14.69 | 2.65 |
| Completeness [%] | 97.3 | 96.5 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 36% Polypropyleneglycol 400, 100 mM imidazole |
