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 |
