5A27
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor.
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 | 2012-02-12 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.940, 90.590, 52.710 |
| Unit cell angles | 90.00, 111.55, 90.00 |
Refinement procedure
| Resolution | 21.830 - 1.370 |
| R-factor | 0.14836 |
| Rwork | 0.147 |
| R-free | 0.18182 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.482 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.410 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 81394 | |
| <I/σ(I)> | 13.2 | 2.2 |
| Completeness [%] | 94.8 | 65.5 |
| Redundancy | 3.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 30% PEG 1500, 0.2 M NACL, 0.1 M NA CACODYLATE, PH 5.5 |
