4CAF
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.460, 121.100, 178.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.190 - 1.700 |
| R-factor | 0.16189 |
| Rwork | 0.160 |
| R-free | 0.20495 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.112 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.130 | 0.760 |
| Number of reflections | 137589 | |
| <I/σ(I)> | 8.1 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.2 M AS, 25% PEG 3350, 0.1 M BIS-TRIS PH 6.0 |
