9RLY
Leishmania major N-myristoyltransferase in complex with azetidinopyrimidine inhibitor IMP-929
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 | 2013-05-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.590, 91.471, 52.887 |
| Unit cell angles | 90.00, 111.83, 90.00 |
Refinement procedure
| Resolution | 49.095 - 1.360 |
| Rwork | 0.169 |
| R-free | 0.20400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.169 |
| 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 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.096 | 0.999 |
| Number of reflections | 82971 | 3483 |
| <I/σ(I)> | 7.6 | 1.5 |
| Completeness [%] | 92.3 | |
| Redundancy | 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 |
