4UWI
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide 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 | 2008-08-19 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.789, 56.897, 141.607 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.179 |
Rwork | 0.175 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.089 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 | 0.260 |
Number of reflections | 37533 | |
<I/σ(I)> | 12 | 3.2 |
Completeness [%] | 97.0 | 90 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 25% PEG3350, 0.2M NACL, pH 7.5 |