7QYH
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-09 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.821, 274.066, 273.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 137.030 - 3.330 |
| R-factor | 0.3117 |
| Rwork | 0.310 |
| R-free | 0.33580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z22 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.624 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.030 | 4.030 |
| High resolution limit [Å] | 3.330 | 3.330 |
| Number of reflections | 15336 | 767 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 86.8 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.987 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1M citric acid, pH 4.5, 0.3M ammonium acetate, 25% PEG 4000, protein 10 mg/mL, vapour diffusion, sitting drop, time 4-8 weeks |
