5T6C
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-methylpyridinyl-methoxy-phenyl-pyridine piperazine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.143, 58.599, 152.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.900 |
| R-factor | 0.22491 |
| Rwork | 0.223 |
| R-free | 0.25629 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cax |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.091 |
| 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] | 38.500 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.335 |
| Number of reflections | 36493 | |
| <I/σ(I)> | 13.8 | 4.3 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 4.4 | 3.7 |
| CC(1/2) | 0.995 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25%PEG3350,0.2M NACL |
