5XE7
Crystal structure of Mycobacterium tuberculosis extracytoplasmic function sigma factor SigJ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97867 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.457, 133.599, 133.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.749 - 2.162 |
| R-factor | 0.261 |
| Rwork | 0.257 |
| R-free | 0.27020 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.854 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.800 | 2.280 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.072 | 0.574 |
| Number of reflections | 35959 | 5166 |
| <I/σ(I)> | 25.1 | 5.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 22.1 | 21.2 |
| CC(1/2) | 0.999 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 0.2M potassium sodium tartrate, 0.1M sodium citrate tribasic pH 5.6, 2M ammonium sulfate |
