2IGX
Achiral, Cheap and Potent Inhibitors of Plasmepsins II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.476, 154.743, 39.257 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.800 - 1.700 |
| R-factor | 0.20218 |
| Rwork | 0.200 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.423 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.570 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.087 | 0.400 |
| Number of reflections | 44941 | |
| <I/σ(I)> | 14.9 | 3.2 |
| Completeness [%] | 97.5 | 96.3 |
| Redundancy | 5.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 273 | pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
