7NLN
Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 63 |
| Unit cell lengths | 100.244, 100.244, 124.526 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.216 - 1.920 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ap9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.016 |
| 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] | 124.530 | 124.530 | 2.020 |
| High resolution limit [Å] | 1.919 | 6.070 | 1.920 |
| Rmerge | 0.071 | 0.047 | 0.595 |
| Rmeas | 0.074 | 0.050 | 0.662 |
| Rpim | 0.022 | 0.014 | 0.285 |
| Total number of observations | 20495 | 40764 | |
| Number of reflections | 54187 | 1774 | 7879 |
| <I/σ(I)> | 19.6 | 46 | 2.5 |
| Completeness [%] | 99.9 | 100 | 99.6 |
| Redundancy | 10.5 | 11.6 | 5.2 |
| CC(1/2) | 0.999 | 0.999 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 1000 mM Potassium sodium tartrate 100 mM Imidazole/HCl pH 8.0 200 mM Sodium chloride |
