3IDS
Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in complex with the irreversible iodoacetamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.42 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.121, 85.388, 105.660 |
| Unit cell angles | 90.00, 96.42, 90.00 |
Refinement procedure
| Resolution | 61.656 - 1.800 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3t |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.381 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.700 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | |
| Number of reflections | 131874 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.7 | 92.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 292 | 18% PEG 4000, 0.1M calcium acetate, 0.1M sodium azide, 0.1M sodium cacodylate buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
