4B12
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.470, 121.920, 178.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.760 - 1.790 |
| R-factor | 0.18767 |
| Rwork | 0.185 |
| R-free | 0.23856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b10 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.113 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 1.840 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.110 | 0.660 |
| Number of reflections | 118372 | |
| <I/σ(I)> | 14.5 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M AMMONIUM SULPHATE, 24-26 % PEG 3350, 0.1 M BISTRIS PH 6.0 - 6.5 |
