9GP0
4-allyl syringol oxidase from Streptomyces cavernae: complex with Vanillyl alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-13 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.965460 |
| Spacegroup name | P 65 |
| Unit cell lengths | 83.419, 83.419, 298.892 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.240 - 1.750 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.577 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.720 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.107 | 1.371 |
| Rmeas | 0.118 | 1.524 |
| Rpim | 0.048 | 0.636 |
| Total number of observations | 630911 | 27255 |
| Number of reflections | 116790 | 5798 |
| <I/σ(I)> | 8.4 | 0.9 |
| Completeness [%] | 99.1 | |
| Redundancy | 5.4 | 4.7 |
| CC(1/2) | 0.995 | 0.307 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.06 M of MgCl2 6 H2O, CaCl2 2 H2O, 0.1 M Tris, bicine, 20% glycerol, 10% PEG 4000 |
