4Z12
Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI)
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 1 21 1 |
| Unit cell lengths | 52.990, 110.410, 94.990 |
| Unit cell angles | 90.00, 95.76, 90.00 |
Refinement procedure
| Resolution | 48.140 - 1.850 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z0y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.986 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.140 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.118 | 2.729 |
| Number of reflections | 90855 | |
| <I/σ(I)> | 8.3 | 0.6 |
| Completeness [%] | 98.1 | 96.93 |
| Redundancy | 4.57 | 4.76 |
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 6.4 |
