5NBP
Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 in complex with G4G4G3G Product
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.342, 60.149, 49.673 |
Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
Resolution | 49.570 - 1.800 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.21290 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5nbo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.636 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.570 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.735 | |
Rpim | 0.066 | 0.499 |
Number of reflections | 45347 | 2705 |
<I/σ(I)> | 10.8 | 1.7 |
Completeness [%] | 99.0 | 99 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.994 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 100 mM MES pH 6 200 mM LiCl2 15-25 % w/v PEG-6000 |