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 |