6Y5U
MenT3 (aka TglT), nucleotidyltransferase toxin Rv1045 from Mycobacterium tuberculosis
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 | 2018-09-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 95.410, 95.410, 69.026 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.970 - 1.590 |
R-factor | 0.2036 |
Rwork | 0.202 |
R-free | 0.22490 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.937 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXD |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.970 | 1.647 |
High resolution limit [Å] | 1.590 | 1.590 |
Number of reflections | 49008 | 4834 |
<I/σ(I)> | 16.68 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.2 M Calcium Acetate Hydrate 0.1 M Tris pH 8.5 25% w/v PEG 2000 MME |