4CAE
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 20b)
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 | 2012-03-19 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.501, 121.054, 178.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.220 - 1.460 |
| R-factor | 0.2169 |
| Rwork | 0.215 |
| R-free | 0.25426 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.480 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.270 | 0.590 |
| Number of reflections | 216384 | |
| <I/σ(I)> | 3.2 | 1.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.8 | 4.7 |
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 |
