9JOG
COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE (FUN168D) WITH FUCOTETRAOSE FROM HOLOTHURIA TUBULOSA
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 | 2024-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.741, 138.390, 62.866 |
| Unit cell angles | 90.00, 113.66, 90.00 |
Refinement procedure
| Resolution | 34.600 - 1.400 |
| R-factor | 0.1404 |
| Rwork | 0.140 |
| R-free | 0.15530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.280 |
| 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] | 39.830 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.051 | 0.277 |
| Rmeas | 0.055 | 0.301 |
| Rpim | 0.022 | 0.116 |
| Total number of observations | 1095501 | 53878 |
| Number of reflections | 167694 | 8239 |
| <I/σ(I)> | 21.2 | 6.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.2M Sodium acetate trihydrate, 0.1M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000 |
