5VNS
M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2016-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.379, 122.784, 40.256 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.118 - 1.450 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.120 | |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 60995 | |
| <I/σ(I)> | 12.83 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289.15 | 0.1 M calcium chloride dehydrate, 0.05 M Bis-Tris, pH 6.5, 22.5% v/v MPD |
