8WAC
Crystal structure of a novel agarose-binding carbohydrate binding module of an agarase
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 | 2023-07-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 36.661, 48.651, 67.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.280 - 1.500 |
| R-factor | 0.1721 |
| Rwork | 0.168 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.793 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.650 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.059 | 0.306 |
| Rmeas | 0.064 | 0.356 |
| Rpim | 0.026 | 0.180 |
| Total number of observations | 118708 | 3627 |
| Number of reflections | 19954 | 975 |
| <I/σ(I)> | 17.6 | 3.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 5.9 | 3.7 |
| CC(1/2) | 0.998 | 0.918 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Calcium chloride dihydrate, 20% w/v Polyethylene glycol 3,350 |
