9RLU
Leishmania major N-myristoyltransferase in complex with azetidinopyrimidine inhibitor IMP-819
This is a non-PDB format compatible entry.
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 | 2014-03-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.408, 90.794, 52.945 |
| Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
| Resolution | 49.186 - 1.300 |
| Rwork | 0.162 |
| R-free | 0.19230 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.255 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.052 | 0.430 |
| Number of reflections | 95383 | 4829 |
| <I/σ(I)> | 12.7 | 2.3 |
| Completeness [%] | 93.7 | 65.5 |
| Redundancy | 4.1 | 3.1 |
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 |
