6NCX
Crystal structure of GH2 beta-galacturonidase from Eisenbergiella tayi bound to galacturonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.342, 156.038, 124.285 |
Unit cell angles | 90.00, 101.27, 90.00 |
Refinement procedure
Resolution | 29.877 - 2.250 |
R-factor | 0.2221 |
Rwork | 0.221 |
R-free | 0.27500 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.926 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.880 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.148 | 1.363 |
Rpim | 0.609 | |
Number of reflections | 114891 | 65156 |
<I/σ(I)> | 6.7 | 1.1 |
Completeness [%] | 99.3 | 96.3 |
Redundancy | 6.9 | 5.9 |
CC(1/2) | 0.995 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium sulfate, 0.1 M Bis-Tris:HCl, pH 6.5, 25% (w/v) PEG 3350, 1 mM GalA |