9GOV
4-Allyl syringol oxidase from Streptomyces cavernae: complex with Propanol syringol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-15 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 65 |
| Unit cell lengths | 82.993, 82.993, 297.577 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.840 - 2.000 |
| R-factor | 0.18589 |
| Rwork | 0.184 |
| R-free | 0.22921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.636 |
| 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] | 45.880 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.810 |
| Rmeas | 0.107 | 0.933 |
| Rpim | 0.053 | 0.459 |
| Total number of observations | 18567 | |
| Number of reflections | 77465 | 4585 |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 99.4 | |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.996 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.06 M of MgCl26 H2O, CaCl2 2 H2O, 0.1 M Tris, bicine, 20% glycerol, 10% PEG 4000 |
