9RLX
Leishmania major N-myristoyltransferase in complex with azetidinopyrimidine inhibitor IMP-180
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.619, 90.922, 53.080 |
| Unit cell angles | 90.00, 111.88, 90.00 |
Refinement procedure
| Resolution | 45.502 - 1.300 |
| Rwork | 0.169 |
| R-free | 0.19890 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.201 |
| 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] | 45.510 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.820 |
| Number of reflections | 99151 | 6735 |
| <I/σ(I)> | 9.5 | 1.7 |
| Completeness [%] | 96.6 | 93.9 |
| Redundancy | 4.3 | 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 |
