4UFW
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.520, 121.910, 178.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.730 - 1.500 |
| R-factor | 0.21678 |
| Rwork | 0.214 |
| R-free | 0.26101 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.106 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.130 | 0.710 |
| Number of reflections | 199533 | |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 99.2 | 71.4 |
| Redundancy | 5.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.2M AS, 25% PEG 3350, 0.1M BIS-TRIS PH 6.0 |
