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 |