4Y6M
Structure of plasmepsin II from Plasmodium falciparum complexed with inhibitor PG418
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2014-10-30 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.220, 104.600, 111.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.152 - 2.270 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bju |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.236 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.218 | 81.220 | 2.390 |
| High resolution limit [Å] | 2.270 | 7.160 | 2.270 |
| Rmerge | 0.030 | 0.710 | |
| Rmeas | 0.160 | ||
| Rpim | 0.059 | 0.012 | 0.310 |
| Total number of observations | 320286 | 10443 | 39146 |
| Number of reflections | 45010 | ||
| <I/σ(I)> | 11.6 | 29.1 | 2.6 |
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 7.1 | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.6 | 293 | 0.1 M Sodium citrate, 25% PEG 3350 |
