6W49
Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC010)
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 | PIXEL |
Collection date | 2018-09-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4586 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.828, 73.828, 234.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.730 - 1.700 |
R-factor | 0.1699 |
Rwork | 0.168 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w29 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.821 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.730 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.061 | 0.593 |
Rmeas | 0.064 | 0.643 |
Rpim | 0.018 | 0.243 |
Total number of observations | 24320 | |
Number of reflections | 72505 | 3730 |
<I/σ(I)> | 24.6 | 2.7 |
Completeness [%] | 99.9 | 99 |
Redundancy | 11.7 | 6.5 |
CC(1/2) | 1.000 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M HEPES, 1.2-1.4 M Na3-Citrate |