6QDH
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906
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 | 2014-03-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.907, 91.592, 53.929 |
| Unit cell angles | 90.00, 113.68, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.450 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.22194 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4cgp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.056 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.037 | 0.800 |
| Number of reflections | 75171 | |
| <I/σ(I)> | 16 | 1.6 |
| Completeness [%] | 97.8 | 95 |
| Redundancy | 4.2 | 4.3 |
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 |
