7VBO
Alginate binding domain CBM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-07-12 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.97928 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 31.587, 92.584, 122.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.330 - 1.500 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.19430 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.330 | 19.470 | 1.530 |
| High resolution limit [Å] | 1.350 | 8.230 | 1.350 |
| Rmerge | 0.051 | 0.045 | 0.294 |
| Rmeas | 0.053 | 0.047 | 0.313 |
| Rpim | 0.014 | 0.013 | 0.103 |
| Total number of observations | 2378 | 9740 | |
| Number of reflections | 37994 | 197 | 1226 |
| <I/σ(I)> | 35 | 80.7 | 5.1 |
| Completeness [%] | 99.3 | 92.4 | 86.9 |
| Redundancy | 12.8 | 12.1 | 7.9 |
| CC(1/2) | 1.000 | 0.999 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8 | 298 | 1.8 M lithium sulfate |
