7TBE
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4
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 | C 2 2 21 |
Unit cell lengths | 80.495, 253.278, 171.755 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 3.350 |
R-factor | 0.2257 |
Rwork | 0.223 |
R-free | 0.28080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tbb |
RMSD bond length | 0.005 |
RMSD bond angle | 0.831 |
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] | 39.190 | 3.580 |
High resolution limit [Å] | 3.350 | 3.350 |
Rpim | 0.168 | 0.496 |
Number of reflections | 25719 | 4587 |
<I/σ(I)> | 5 | 1.9 |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.975 | 0.721 |
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 |