5O4V
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.559, 121.881, 179.053 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.530 - 1.700 |
| R-factor | 0.20965 |
| Rwork | 0.207 |
| R-free | 0.25757 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5o48 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.883 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.171 | 1.399 |
| Rpim | 0.111 | 0.900 |
| Number of reflections | 139052 | 6801 |
| <I/σ(I)> | 6.4 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 6.4 |
| CC(1/2) | 0.986 | 0.360 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 0.2 M AS, 25% PEG 3350, 0.1 M Bis-Tris |
