5G20
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-21 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.718, 90.651, 52.913 |
| Unit cell angles | 90.00, 112.72, 90.00 |
Refinement procedure
| Resolution | 48.810 - 1.520 |
| R-factor | 0.17586 |
| Rwork | 0.174 |
| R-free | 0.21942 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.346 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.060 | 0.760 |
| Number of reflections | 63023 | |
| <I/σ(I)> | 10 | 1.5 |
| Completeness [%] | 98.8 | 97.5 |
| Redundancy | 3.8 | 3.8 |
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 |
