6TW7
Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-918
This is a non-PDB format compatible entry.
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 | 2013-05-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.379, 91.899, 53.609 |
| Unit cell angles | 90.00, 113.70, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.400 |
| Rwork | 0.205 |
| R-free | 0.24340 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.959 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.034 | 0.802 |
| Number of reflections | 83675 | 3809 |
| <I/σ(I)> | 14.8 | 1.3 |
| Completeness [%] | 99.3 | 91.6 |
| Redundancy | 4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 30% PEG 1500, 0.2 M NaCl, 0.1 M Na cacodylate, pH 5.5 |
