7C8F
Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.865, 106.413, 79.293 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 30.353 - 1.461 |
| R-factor | 0.1564 |
| Rwork | 0.156 |
| R-free | 0.17240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7c8g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.035 | 0.291 |
| Number of reflections | 113418 | 5754 |
| <I/σ(I)> | 40.77 | |
| Completeness [%] | 98.2 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris propane (pH 7.5), 0.2 M sodium malonate, and 19% PEG 3350 |
