3PTY
Crystal structure of the C-terminal extracellular domain of Mycobacterium tuberculosis EmbC
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763,0.9797,0.9799 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 129.130, 129.130, 136.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.282 - 2.000 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.20730 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.052 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.564 |
| Number of reflections | 45942 | |
| <I/σ(I)> | 27 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.4 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 291 | 0.1 M sodium acetate, 0.08 M ammonium phosphate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
