6JPN
Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-08 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 261.380, 261.380, 58.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.860 - 2.850 |
| Rwork | 0.207 |
| R-free | 0.22330 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.325 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 226.360 | 62.800 | 2.900 |
| High resolution limit [Å] | 2.850 | 7.730 | 2.850 |
| Rmeas | 0.238 | 0.056 | 2.036 |
| Rpim | 0.072 | 0.017 | 0.648 |
| Number of reflections | 53459 | 2796 | 2668 |
| <I/σ(I)> | 11.5 | 39.2 | 1 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 11.1 | 10.7 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 298 | 15% PEG 6000, 0.1 M magnesium acetate |
