8U47
Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285
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 | 2021-12-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.800, 68.727, 51.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.970 - 1.330 |
R-factor | 0.1809 |
Rwork | 0.180 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.896 |
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 | 1.330 |
High resolution limit [Å] | 1.280 | 1.280 |
Rmeas | 0.116 | 0.499 |
Rpim | 0.034 | 0.158 |
Number of reflections | 58683 | 4203 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 94.9 | 68.5 |
Redundancy | 10.2 | |
CC(1/2) | 1.000 | 0.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 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. |