7TBD
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 82.021, 88.440, 230.173 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.630 - 2.220 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tbb |
RMSD bond length | 0.007 |
RMSD bond angle | 0.932 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.630 | 2.290 |
High resolution limit [Å] | 2.220 | 2.220 |
Rpim | 0.047 | 0.473 |
Number of reflections | 41807 | 3792 |
<I/σ(I)> | 11.4 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.8 | |
CC(1/2) | 1.000 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 M ammonium sulfate, 0.1 M sodium HEPES pH 7.5, 2% (v/v) PEG 400 and 1 mM Anderson-Evans polyoxotungstate |