7NLP
Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-canavanine
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 | 2017-02-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 174.058, 174.058, 71.154 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.346 - 2.213 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ap9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.014 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.030 | 87.030 | 2.330 |
| High resolution limit [Å] | 2.210 | 7.000 | 2.210 |
| Rmerge | 0.062 | 0.030 | 0.531 |
| Rmeas | 0.066 | 0.032 | 0.572 |
| Rpim | 0.024 | 0.012 | 0.208 |
| Total number of observations | 154874 | 4916 | 20116 |
| Number of reflections | 20426 | 695 | 2811 |
| <I/σ(I)> | 14.6 | 38.3 | 2.2 |
| Completeness [%] | 98.9 | 99.9 | 94 |
| Redundancy | 7.6 | 7.1 | 7.2 |
| CC(1/2) | 0.999 | 0.999 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 1260 mM ammonium sulphate 100 mM CHES pH 9.5 200 mM NaCl |
