8GES
R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide
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 | 2021-12-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 100.414, 145.950, 281.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.960 - 2.700 |
R-factor | 0.2323 |
Rwork | 0.231 |
R-free | 0.28250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.759 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.960 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.077 | 0.764 |
Rmeas | 0.109 | 1.081 |
Rpim | 0.077 | 0.764 |
Number of reflections | 113475 | 11246 |
<I/σ(I)> | 7.37 | 1.13 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 2 | 2 |
CC(1/2) | 0.994 | 0.559 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.17 M Ammonium Acetate, 0.085M Sodium Citrate:HCl, pH 5.6 and 25.5 % (w/v) PEG 4000, 15 % (v/v) glycerol |