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 |