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 |