7NNW
Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate.
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 | 91.802, 143.512, 97.524 |
| Unit cell angles | 90.00, 117.69, 90.00 |
Refinement procedure
| Resolution | 53.800 - 1.780 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.20610 |
| 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] | 86.360 | 86.360 | 1.870 |
| High resolution limit [Å] | 1.780 | 5.620 | 1.780 |
| Rmerge | 0.084 | 0.038 | 1.284 |
| Rmeas | 0.094 | 0.042 | 1.426 |
| Rpim | 0.040 | 0.018 | 0.612 |
| Total number of observations | 34308 | 166972 | |
| Number of reflections | 423088 | 6898 | 31302 |
| <I/σ(I)> | 10.9 | 34.2 | 1.1 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 5.3 | 5 | 5.3 |
| CC(1/2) | 0.999 | 0.998 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate |
