8U46
Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285 D161A-E163A inactive version
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 70.309, 70.466, 50.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.770 - 2.100 |
R-factor | 0.1633 |
Rwork | 0.161 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.838 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.188 | 0.570 |
Rpim | 0.057 | 0.184 |
Number of reflections | 14793 | 6926 |
<I/σ(I)> | 10.6 | 0.7 |
Completeness [%] | 98.3 | 97.9 |
Redundancy | 6 | |
CC(1/2) | 0.985 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.03 M of each divalent cation 0.1 M MOPS/HEPES-Na pH 7.5 |