9RLV
Leishmania major N-myristoyltransferase in complex with azetidinopyrimidine inhibitor IMP-821
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 | 2012-12-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.356, 91.848, 53.477 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 49.294 - 1.490 |
| Rwork | 0.189 |
| R-free | 0.22840 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.014 |
| 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] | 49.300 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.044 | 0.998 |
| Number of reflections | 69287 | 4895 |
| <I/σ(I)> | 12.6 | 1.2 |
| Completeness [%] | 98.8 | 99 |
| 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 |
