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. |
