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 |