4UFV
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18)
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 | 2011-08-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.480, 118.990, 177.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.880 - 1.750 |
| R-factor | 0.18855 |
| Rwork | 0.186 |
| R-free | 0.23715 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.030 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.130 | 0.600 |
| Number of reflections | 121366 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 98.2 | 91.7 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.2M AS, 25% PEG 3350, 0.1M BIS-TRIS PH 6.0 |
