1LF3
CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 53.411, 39.904, 91.409 |
| Unit cell angles | 90.00, 105.11, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.700 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sme |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 2.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.067 * | 0.322 * |
| Number of reflections | 18608 * | |
| <I/σ(I)> | 12.1 | 2 |
| Completeness [%] | 93.0 | 87.1 * |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 20 * | 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.0 |
| 3 | 1 | drop | inhibitor | 7 (mM) | |
| 4 | 1 | drop | DMSO | 10 (%(v/v)) | |
| 5 | 1 | reservoir | citric acid | 0.1 (M) | pH4.5 |
| 6 | 1 | reservoir | ammonium acetate | 0.3 (M) | |
| 7 | 1 | reservoir | PEG3350 | 25 (%) |
