4Z10
Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0247 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 137.100, 137.100, 209.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.920 - 1.930 |
| R-factor | 0.1459 |
| Rwork | 0.144 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z0y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.951 |
| 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] | 48.920 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.141 | 1.534 |
| Number of reflections | 170779 | |
| <I/σ(I)> | 12.2 | 2 |
| Completeness [%] | 100.0 | 99.98 |
| Redundancy | 11.82 | 11.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22 % PEG-4000, 500 mM sodium chloride, 100 mM sodium formiate, 100 mM 1,4-resorcinol, 50 mM sodium citrate, pH 6.4 |
