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 |
