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 |