4B13
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-01-28 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.320, 119.130, 178.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.510 - 1.580 |
| R-factor | 0.24027 |
| Rwork | 0.238 |
| R-free | 0.29113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b10 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.634 |
| 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] | 37.000 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.100 | 0.630 |
| Number of reflections | 163266 | |
| <I/σ(I)> | 14.2 | 2.9 |
| Completeness [%] | 98.4 | 97.6 |
| Redundancy | 7.9 | 7.7 |
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 |
