4XAE
Structure of Feruloyl-CoA 6-hydroxylase (F6H) from Arabidopsis thaliana
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 193.219, 54.554, 78.815 |
Unit cell angles | 90.00, 111.54, 90.00 |
Refinement procedure
Resolution | 44.930 - 2.769 |
R-factor | 0.2484 |
Rwork | 0.243 |
R-free | 0.29990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gp4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.194 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.930 | 2.795 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.139 | 0.366 |
Number of reflections | 19697 | |
<I/σ(I)> | 6.7 | 2.01 |
Completeness [%] | 92.2 | 59.5 |
Redundancy | 6.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Sitting drop vapor diffusion at 291K using 2 microliter drops containing equal volumes of protein concentrate and a precipitant cocktail containing 20% (w/v) PEG-8000, 0.1 M MES, 0.3 M Ca(OAc)2, pH 6.0 |