6W59
Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063)
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 | 2019-07-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4587 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.385, 73.385, 233.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.470 - 1.950 |
R-factor | 0.1923 |
Rwork | 0.191 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w29 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.609 |
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] | 47.470 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.087 | 0.581 |
Rmeas | 0.096 | 0.701 |
Rpim | 0.040 | 0.384 |
Total number of observations | 7929 | |
Number of reflections | 47202 | 2994 |
<I/σ(I)> | 9.2 | 1.1 |
Completeness [%] | 99.0 | 90.8 |
Redundancy | 5.2 | 2.6 |
CC(1/2) | 0.998 | 0.610 |
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 |