7NOS
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.995, 143.606, 97.815 |
| Unit cell angles | 90.00, 117.48, 90.00 |
Refinement procedure
| Resolution | 53.910 - 1.770 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p2g |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.610 | 81.610 | 1.860 |
| High resolution limit [Å] | 1.770 | 5.580 | 1.770 |
| Rmerge | 0.050 | 0.024 | 1.274 |
| Rmeas | 0.055 | 0.027 | 1.417 |
| Rpim | 0.024 | 0.011 | 0.610 |
| Total number of observations | 1170700 | 36149 | 168321 |
| Number of reflections | 219906 | 7090 | 32044 |
| <I/σ(I)> | 15.5 | 53.9 | 1.1 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 5.3 | 5.1 | 5.3 |
| CC(1/2) | 0.999 | 0.999 | 0.551 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate |
