7OP6
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92819 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.920, 116.858, 100.844 |
Unit cell angles | 90.00, 114.15, 90.00 |
Refinement procedure
Resolution | 92.190 - 2.050 |
R-factor | 0.1877 |
Rwork | 0.185 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2je8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.578 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.190 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rpim | 0.049 | 0.522 |
Number of reflections | 119933 | 5880 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 98.6 | 97.9 |
Redundancy | 4.1 | 4 |
CC(1/2) | 0.997 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 291 | PEG 3350, sodium bromide, MES buffer |