1LEE
CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 75.890, 84.830, 123.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.800* |
| Rwork | 0.236 |
| R-free | 0.26600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sme |
| RMSD bond length | 0.019 * |
| RMSD bond angle | 2.100 * |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 26322 * | |
| <I/σ(I)> | 15 | 3 |
| Completeness [%] | 71.0 | 33 |
| Redundancy | 4 | 3.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 293 * | VAPOR DIFFUSION, HANGING DROP |
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 (%) | |
| 5 | 1 | reservoir | sodium citrate | 0.10 (M) | pH6.0 |
| 6 | 1 | reservoir | phosphate | 0.20 (M) | |
| 7 | 1 | reservoir | ammonium sulfate | 18 (%) | |
| 8 | 1 | reservoir | ethanol | 5 (%) |
