5EXK
Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.773, 95.971, 114.328 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 47.030 - 1.860 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.354 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.5) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.104 | 0.415 |
| Number of reflections | 143268 | |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 97.2 | 95.3 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2% Tacsimate pH 7.0, 0.1 M imidazole pH 7.0, 8% (w/v) PEG 3350, 5% (v/v) isopropanol |
