7VE0
Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-09-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.290, 70.410, 106.670 |
| Unit cell angles | 90.00, 133.61, 90.00 |
Refinement procedure
| Resolution | 39.890 - 1.900 |
| R-factor | 0.22448 |
| Rwork | 0.222 |
| R-free | 0.26126 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yic |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.309 |
| 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] | 39.890 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 61329 | 8741 |
| <I/σ(I)> | 16.16 | 1.84 |
| Completeness [%] | 95.9 | 96.6 |
| Redundancy | 2.89 | 2.73 |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.5 M sodium formate, pH 7.0 |
