8JLV
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.892, 120.326, 102.952 |
| Unit cell angles | 90.00, 97.42, 90.00 |
Refinement procedure
| Resolution | 42.704 - 2.999 |
| R-factor | 0.205645544032 |
| Rwork | 0.204 |
| R-free | 0.24685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.990 | 3.000 |
| Rmerge | 0.319 | 1.457 |
| Number of reflections | 38647 | 38647 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 96.7 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1M NaH2PO4/K2HPO4 |
