1OF4
Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.913, 49.567, 96.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.600 |
R-factor | 0.165 |
Rwork | 0.163 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.740 * |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.070 | 0.391 |
Number of reflections | 19916 | |
<I/σ(I)> | 17.6 | 4.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.0 * | 5.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.6 | 1.5 M AMMONIUM SULFATE, 0.1 M NA-ACETATE PH 4.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 25 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
3 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |