5NCC
Structure of Fatty acid Photodecarboxylase in complex with FAD and palmitic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-13 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.234, 192.109, 116.127 |
Unit cell angles | 90.00, 113.28, 90.00 |
Refinement procedure
Resolution | 49.070 - 3.120 |
R-factor | 0.22886 |
Rwork | 0.225 |
R-free | 0.27827 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jbv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.934 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 3.260 |
High resolution limit [Å] | 3.120 | 3.120 |
Rmerge | 0.187 | 0.772 |
Number of reflections | 70398 | |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.0 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 20-25% PEG3350 17-20% 2-propanol 0.1M NaCitrate 0.1M pH 5.5 |