5EXI
Crystal structure of M. tuberculosis lipoyl synthase at 2.28 A resolution
Experimental procedure
Experimental method | MAD |
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 | 2012-07-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.7389, 1.7418, 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.663, 57.815, 116.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.284 - 2.280 |
R-factor | 0.166 |
Rwork | 0.163 |
R-free | 0.21300 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.004 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 200.000 | 200.000 | 2.360 |
High resolution limit [Å] | 2.280 | 4.910 | 2.280 |
Rmerge | 0.152 | 0.089 | 0.458 |
Total number of observations | 119171 | ||
Number of reflections | 14576 | ||
<I/σ(I)> | 4.9 | ||
Completeness [%] | 93.1 | 93.9 | 66.5 |
Redundancy | 8.2 | 9.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, pH 7.5, 12% (w/v) PEG 10000, 7.5% (v/v) MPD in drop; 0.5 M LiCl in reservoir |