3DMT
Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in complex with the irreversible iodoacetate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-12 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.4250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.755, 83.713, 105.611 |
| Unit cell angles | 90.00, 96.44, 90.00 |
Refinement procedure
| Resolution | 38.100 - 2.300 |
| R-factor | 0.18956 |
| Rwork | 0.186 |
| R-free | 0.25166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.436 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.135 | 0.135 |
| Number of reflections | 58629 | |
| <I/σ(I)> | 2.8 | 2.8 |
| Completeness [%] | 96.9 | 96.9 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 18% PEG 8000, 0.1M calcium acetate, 0.1M sodium cacodylate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
