8RZI
ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 219.695, 106.554, 164.442 |
| Unit cell angles | 90.00, 114.01, 90.00 |
Refinement procedure
| Resolution | 34.970 - 1.960 |
| R-factor | 0.1558 |
| Rwork | 0.154 |
| R-free | 0.18350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmeas | 0.083 | 1.214 |
| Number of reflections | 245610 | 35024 |
| <I/σ(I)> | 10.9 | 1 |
| Completeness [%] | 99.4 | 97.4 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.468 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.63 mg/ml 2:1 ratio 0.14M Na/K-tartrate, 14% PEG 3350 |
