4Z13
Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI) and soaked in H2O2
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 | 52.880, 109.750, 94.760 |
| Unit cell angles | 90.00, 96.30, 90.00 |
Refinement procedure
| Resolution | 47.415 - 1.780 |
| R-factor | 0.1593 |
| Rwork | 0.157 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z0y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.410 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.112 | 1.337 |
| Number of reflections | 101112 | |
| <I/σ(I)> | 8.6 | 1 |
| Completeness [%] | 98.4 | 96.15 |
| Redundancy | 3.85 | 3.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 4000, 1 mM hexatungstotellurate(VI), 60 mM sodium citrate, pH 5.0 |
