8IVI
crystal structure of a medium-long chain fatty acyl-CoA ligase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.230, 105.000, 135.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.500 - 2.290 |
R-factor | 0.2479 |
Rwork | 0.247 |
R-free | 0.27510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.163 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.240 | 2.350 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.039 | 0.825 |
Number of reflections | 81612 | 3149 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.8 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 20% PEG 8000 |