6TW8
Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
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 | 2013-04-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.020, 89.820, 97.180 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 65.000 - 1.790 |
| Rwork | 0.218 |
| R-free | 0.26450 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.667 |
| 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] | 65.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.088 | 0.666 |
| Number of reflections | 82872 | 4573 |
| <I/σ(I)> | 8.7 | 1.9 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.1 | 4 |
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 |
