1OF3
Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 69.078, 69.078, 229.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22500 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 1.545 * |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.246 |
| Number of reflections | 36721 | |
| <I/σ(I)> | 21 | 8.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.0 * | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 1.6 M NA K PHOSPHATE, 0.1 M NA HEPES PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | sodium potassium phosphate | 1.6 (M) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
