6D4O
Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 179.954, 179.954, 134.941 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.450 - 2.900 |
R-factor | 0.2023 |
Rwork | 0.199 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.293 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.450 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.147 | 0.498 |
Rmeas | 0.155 | 0.523 |
Number of reflections | 29069 | 4621 |
<I/σ(I)> | 17 | 6.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 19.3 | 20.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.05 M Bis-tris pH 6.5 45% PEG 400 |