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 |