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 |