8RR5
MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv, phosphorylated at T39
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 | 2023-03-17 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 127.001, 127.001, 68.776 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.580 - 2.800 |
| R-factor | 0.19906 |
| Rwork | 0.197 |
| R-free | 0.23939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.480 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.580 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.014 | 0.074 |
| Rmeas | 0.020 | 0.105 |
| Number of reflections | 7213 | 1035 |
| <I/σ(I)> | 27.4 | 3.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 1.000 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 4 M Sodium Formate, 0.1 M Tris, pH 7.5 |
