4ZIL
Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its reduced state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.649, 46.814, 104.308 |
| Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
| Resolution | 40.256 - 1.507 |
| R-factor | 0.1337 |
| Rwork | 0.131 |
| R-free | 0.17620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nxi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.260 | 1.561 |
| High resolution limit [Å] | 1.507 | 1.507 |
| Rmerge | 0.095 | 0.650 |
| Number of reflections | 60530 | |
| <I/σ(I)> | 10.47 | 2.11 |
| Completeness [%] | 98.3 | 85.07 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris-HCl pH 8.5, 0.1 M Magnesium chloride, and 17% (w/v) PEG 20,000 |
