4YA8
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 177.770, 177.770, 177.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.216 - 3.301 |
| R-factor | 0.1893 |
| Rwork | 0.188 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bju |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.801 |
| 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] | 177.770 | 59.257 | 3.480 |
| High resolution limit [Å] | 3.301 | 10.440 | 3.300 |
| Rmerge | 0.035 | 0.688 | |
| Rmeas | 0.136 | ||
| Rpim | 0.068 | 0.021 | 0.409 |
| Total number of observations | 99396 | 3111 | 14403 |
| Number of reflections | 27601 | ||
| <I/σ(I)> | 7.5 | 18.4 | 1.8 |
| Completeness [%] | 97.5 | 92.1 | 99.1 |
| Redundancy | 3.6 | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M sodium citrate, 80 % PEG 3350 |
