4CKU
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
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 |
| Collection date | 2011-12-18 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 201.950, 115.250, 93.170 |
| Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
| Resolution | 29.980 - 1.850 |
| R-factor | 0.1604 |
| Rwork | 0.158 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bju |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.866 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.280 |
| Number of reflections | 166099 | |
| <I/σ(I)> | 9.2 | 3.5 |
| Completeness [%] | 98.0 | 99.4 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 0.1M CITRIC ACID, PH 4.5, 0.3M AMMONIUM ACETATE, 25% PEG 3350, PROTEIN 10 MG/ML, VAPOR DIFFUSION, SITTING DROP, TIME 2-4 WEEKS. |
