5YIE
Crystal Structure of KNI-10742 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 | 2016-10-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54182 |
| Spacegroup name | I 4 |
| Unit cell lengths | 106.600, 106.600, 72.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 2.100 |
| R-factor | 0.17509 |
| Rwork | 0.173 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.750 |
| 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 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.065 | 1.250 |
| Number of reflections | 23705 | 3089 |
| <I/σ(I)> | 17.4 | 1.8 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M HEPES pH 7.5, 1.4 M sodium citrate tribasic dihydrate |
