4CYQ
Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-07 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.997, 92.029, 53.272 |
| Unit cell angles | 90.00, 113.10, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.650 |
| R-factor | 0.18532 |
| Rwork | 0.183 |
| R-free | 0.23368 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.284 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.050 | 0.700 |
| Number of reflections | 51112 | |
| <I/σ(I)> | 10.3 | 1.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.4 | 3.4 |
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 |
