6R31
Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-12 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87290 |
Spacegroup name | H 3 |
Unit cell lengths | 104.910, 104.910, 39.511 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.830 - 2.600 |
R-factor | 0.19705 |
Rwork | 0.190 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.267 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.280 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.180 | 0.355 |
Number of reflections | 4803 | 590 |
<I/σ(I)> | 3.7 | 2 |
Completeness [%] | 96.3 | 96.9 |
Redundancy | 2.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293.15 | 20-28% (m/v) polyethyleneglycol (PEG) 3350, 0.2 M potassium phosphate, 0.1 M sodium acetate buffer pH 4.6 |