4BBH
Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-07 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.470, 121.870, 178.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.070 - 1.630 |
| R-factor | 0.21694 |
| Rwork | 0.214 |
| R-free | 0.26443 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.179 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.000 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.010 | 0.350 |
| Number of reflections | 130696 | |
| <I/σ(I)> | 15.4 | 2.5 |
| Completeness [%] | 83.7 | 43.9 |
| Redundancy | 8.3 | 2.8 |
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 |
