8RZJ
ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine).
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) | 0.9801 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 218.781, 106.120, 164.695 |
Unit cell angles | 90.00, 113.92, 90.00 |
Refinement procedure
Resolution | 47.380 - 1.990 |
R-factor | 0.1555 |
Rwork | 0.154 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.183 |
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] | 48.220 | 2.090 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmeas | 0.155 | 1.168 |
Number of reflections | 232909 | 32888 |
<I/σ(I)> | 8.3 | 1.6 |
Completeness [%] | 98.3 | 95.3 |
Redundancy | 7 | 7 |
CC(1/2) | 0.995 | 0.689 |
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 |