4Z0Z
Inactive aurone synthase (polyphenol oxidase) from natural source, sulfohistidine ~ 90 %
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.530, 183.520, 78.090 |
Unit cell angles | 90.00, 94.50, 90.00 |
Refinement procedure
Resolution | 48.100 - 1.600 |
R-factor | 0.1664 |
Rwork | 0.165 |
R-free | 0.19960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z0y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.061 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.100 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.107 | 0.830 |
Number of reflections | 187071 | |
<I/σ(I)> | 8.1 | 1.6 |
Completeness [%] | 98.7 | 99.87 |
Redundancy | 3.46 | 3.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 23-25 % PEG-4000, 500 mM sodium chloride, 100 mM sodium formiate, 50 mM sodium citrate, pH 6.4 |