7NLO
Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 175.298, 175.298, 70.537 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.969 - 1.820 |
| R-factor | 0.1884 |
| Rwork | 0.188 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ap9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.859 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.970 | 63.970 | 1.920 |
| High resolution limit [Å] | 1.820 | 5.760 | 1.820 |
| Rmerge | 0.043 | 0.032 | 1.027 |
| Rmeas | 0.046 | 0.034 | 1.083 |
| Rpim | 0.015 | 0.011 | 0.344 |
| Total number of observations | 372764 | ||
| Number of reflections | 37098 | 37098 | 5393 |
| <I/σ(I)> | 23.9 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 10 | 9.4 | 10.1 |
| CC(1/2) | 0.999 | 0.999 | 0.895 |
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 |
