7BGG
Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.235, 70.235, 96.449 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.020 - 1.040 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nec |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.825 | 1.099 |
| High resolution limit [Å] | 1.036 | 1.040 |
| Rmerge | 0.080 | 1.554 |
| Rmeas | 0.082 | 1.607 |
| Rpim | 0.019 | |
| Number of reflections | 131923 | 2592 |
| <I/σ(I)> | 18.95 | 1.7 |
| Completeness [%] | 96.2 | 67.5 |
| Redundancy | 18.1 | 10.8 |
| CC(1/2) | 0.989 | 0.248 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2 M sodium malonate |
