7W18
Complex structure of alginate lyase PyAly with M5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 62.272, 62.272, 113.271 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.2457 |
| Rwork | 0.243 |
| R-free | 0.28480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.790 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.031 | 0.386 |
| Number of reflections | 28715 | 1283 |
| <I/σ(I)> | 21.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288.15 | HEPES sodium, propanol, PEG 4000 |
