5T6E
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.276, 58.339, 152.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.500 - 2.300 |
| R-factor | 0.19899 |
| Rwork | 0.196 |
| R-free | 0.24788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cax |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.395 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.590 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 0.478 |
| Number of reflections | 20819 | |
| <I/σ(I)> | 9.2 | 1.9 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.996 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25%PEG3350,0.2M NACL |
