5YIB
Crystal Structure of KNI-10743 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 | 2016-05-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54182 |
| Spacegroup name | I 4 |
| Unit cell lengths | 106.250, 106.250, 70.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.000 - 2.150 |
| R-factor | 0.17902 |
| Rwork | 0.178 |
| R-free | 0.19644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.087 | 0.990 |
| Number of reflections | 21566 | 2723 |
| <I/σ(I)> | 16.9 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.2 M lithium sulfate, 1.26 M ammonium sulfate, 0.1 M Tris pH 8.5 |
