4Z0Y
Active aurone synthase (polyphenol oxidase), copper B : sulfohistidine ~ 1.4 : 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.23953 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.720, 90.560, 182.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.648 - 1.600 |
| R-factor | 0.1587 |
| Rwork | 0.157 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bt3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.138 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.650 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.108 | |
| Number of reflections | 192559 | |
| <I/σ(I)> | 11.3 | 1.8 |
| Completeness [%] | 99.4 | 96.14 |
| Redundancy | 6.34 | 4.51 |
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 |
