4Z11
Latent aurone synthase (polyphenol oxidase) from natural source
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972499 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.570, 174.100, 102.540 |
| Unit cell angles | 90.00, 105.27, 90.00 |
Refinement procedure
| Resolution | 46.381 - 2.500 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z0y |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.659 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.770 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.145 | 0.862 |
| Number of reflections | 71373 | |
| <I/σ(I)> | 7.6 | 2 |
| Completeness [%] | 97.8 | 97.68 |
| Redundancy | 3.4 | 3.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 15 % PEG-4000, 100 mM magnesium chloride, 60 mM sodium citrate, pH 7.4 |
