8GJB
L-threonine 3-Dehydrogenase from Trypanosoma cruzi in complex with NAD and acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS SIRIUS BEAMLINE MANACA |
Synchrotron site | LNLS SIRIUS |
Beamline | MANACA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.977180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.274, 82.733, 84.384 |
Unit cell angles | 90.00, 90.45, 90.00 |
Refinement procedure
Resolution | 47.317 - 1.750 |
Rwork | 0.180 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.580 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.317 | 1.770 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 67241 | 3667 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 291 | 0.2 M Ammonium acetate, 0.1 M Bis-Tris (pH 5.3), 25% PEG 3350, 25% glycerol. |