1QS8
Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 145.015, 145.015, 71.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.25000 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.510 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.084 | 0.440 |
| Total number of observations | 130851 * | |
| Number of reflections | 27347 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 98.3 | 97.3 * |
| Redundancy | 4.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5 | 295 | PEG 3000, AMMONIUM SULFATE, ACETATE, AMYL ALCOHOL, BETA-OCTYL GLUCOSIDE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3000 | 17 (%(v/v)) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | Na acetate | 0.1 (M) | |
| 4 | 1 | reservoir | MPD | 3 (%(v/v)) | |
| 5 | 1 | reservoir | beta-octylglucoside | 0.15 (%(w/v)) |
