4ZL4
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842)
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 | CCD |
Collection date | 2014-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.994, 203.089, 82.165 |
Unit cell angles | 90.00, 121.07, 90.00 |
Refinement procedure
Resolution | 41.850 - 2.370 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tzs |
RMSD bond length | 0.009 |
RMSD bond angle | 1.159 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.850 | 2.510 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.100 | 0.502 |
Number of reflections | 51893 | |
<I/σ(I)> | 8.96 | 2.58 |
Completeness [%] | 99.2 | 88.9 |
Redundancy | 3.8 | 2.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.16 | 293 | 0.11 M (NH4)2SO4, 15.5% PEG4000 0.1 M, 5% Jeffamine M-600, Sodium Acetate/ Acetic Acid pH 4.16 |