8VB3
Dienelactone hydrolase from Solimonas fluminis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.143, 87.835, 71.415 |
| Unit cell angles | 90.00, 99.17, 90.00 |
Refinement procedure
| Resolution | 39.630 - 1.450 |
| R-factor | 0.1593 |
| Rwork | 0.158 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.520 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.630 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.067 | 0.287 |
| Rpim | 0.028 | 0.123 |
| Number of reflections | 86395 | 8555 |
| <I/σ(I)> | 12.01 | 4.43 |
| Completeness [%] | 99.7 | 99.14 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.998 | 0.979 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 20% w/v PEG3000, 0.1 M Tris, pH 7, 0.2 M calcium acetate |
