8GEQ
E. eligens beta-glucuronidase bound to ceritinib-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 | 2021-07-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 179.728, 179.728, 134.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.930 - 2.750 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.246 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.930 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.027 | 0.346 |
Rmeas | 0.038 | 0.489 |
Rpim | 0.027 | 0.346 |
Number of reflections | 33783 | 3311 |
<I/σ(I)> | 14.21 | 2.09 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.07 M BICINE, pH 9.0, 1.4 % (w/v) 1,4-Dioxane, 7 % (w/v) PEG 20,000, and 30 % (v/v) glycerol |