7VE2
Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-03-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.940, 108.940, 70.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.520 - 3.200 |
| R-factor | 0.2268 |
| Rwork | 0.225 |
| R-free | 0.26617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yic |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.437 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.520 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 6877 | 602 |
| <I/σ(I)> | 9.95 | 1.04 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.54 | 7.57 |
| CC(1/2) | 0.990 | 0.370 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 1.4 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5 |
