5N1I
unliganded form of the Mycobacterium tuberculosis repressor EthR2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.850, 74.470, 89.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.360 - 2.400 |
| R-factor | 0.22166 |
| Rwork | 0.219 |
| R-free | 0.26845 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n1c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS (VERSION March 30, 2013) |
| Data scaling software | XDS (VERSION Oct 15, 2015) |
| Phasing software | MOLREP (11.0.15) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.083 | 0.830 |
| Number of reflections | 16231 | 2440 |
| <I/σ(I)> | 1.45 | 2.5 |
| Completeness [%] | 99.0 | 94.7 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.999 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 200 mM NaCl, 200 mM Na Citrate pH 4.2 and 15%polyethylene glycol monomethylether 5000 |
