1W8T
CBM29-2 mutant K74A complexed with cellulohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.705, 42.761, 35.334 |
| Unit cell angles | 90.00, 105.23, 90.00 |
Refinement procedure
| Resolution | 19.280 - 1.400 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.761 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.100 |
| Number of reflections | 30504 | |
| <I/σ(I)> | 30 | 12.2 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.18 M AMMONIUM TARTRATE, 18% PEG 3350, 25% MPD, 5% GLYCEROL, 10 MM CELLOHEXAOSE |
