7NLS
Crystal structure of Mycobacterium tuberculosis ArgB 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 | 2016-07-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 174.238, 174.238, 72.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.099 - 2.648 |
| R-factor | 0.1961 |
| Rwork | 0.193 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ap9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.093 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.120 | 87.120 | 2.790 |
| High resolution limit [Å] | 2.648 | 8.370 | 2.650 |
| Rmerge | 0.076 | 0.031 | 1.270 |
| Rmeas | 0.080 | 0.033 | 1.336 |
| Rpim | 0.025 | 0.011 | 0.413 |
| Total number of observations | 3774 | 18498 | |
| Number of reflections | 12283 | 423 | 1774 |
| <I/σ(I)> | 20.3 | 62.7 | 1.9 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 10.1 | 8.9 | 10.4 |
| CC(1/2) | 0.999 | 0.999 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9.5 | 291 | 1260 mM ammonium sulphate 100 mM CHES pH 9.5 200 mM NaCl |
