8TSE
Crystal structure of a CE15 glucuronoyl esterase from Ruminococcus flavefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00334 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.950, 60.870, 124.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.971 - 1.250 |
R-factor | 0.1707 |
Rwork | 0.170 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.813 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.971 | 47.971 | 1.360 |
High resolution limit [Å] | 1.250 | 5.000 | 1.250 |
Rmerge | 0.088 | 0.035 | |
Rmeas | 0.095 | 0.038 | 0.967 |
Number of reflections | 110196 | 1911 | 24335 |
<I/σ(I)> | 11.27 | 35.04 | 1.85 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7 | 6.79 | |
CC(1/2) | 0.999 | 0.999 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 11% isopropanol, 20% PEG4000, 100 mM HEPES, pH 7.5 |