8GIL
L-threonine 3-Dehydrogenase from Trypanosoma cruzi (apo form)
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 | 2021-04-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.977180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.685, 81.834, 83.674 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 46.727 - 2.100 |
Rwork | 0.200 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.744 |
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] | 46.730 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 36424 | 2927 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 99.1 | 98.6 |
Redundancy | 4.7 | 4.5 |
CC(1/2) | 0.995 | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 25% PEG 3350, 200 mM ammonium acetate and 100 mM Bis-Tris pH 5.5 |