1W8U
CBM29-2 mutant D83A complexed with mannohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.150, 42.636, 60.182 |
| Unit cell angles | 90.00, 93.71, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.300 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.908 |
| 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] | 100.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 31892 | |
| <I/σ(I)> | 32.4 | 6.6 |
| Completeness [%] | 99.8 | 98.1 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.5 M AMMONIUM SULPHATE, 0.1 M SODIUM CITRATE PH6.5 10 MM MANNOHEXAOSE 25% GLYCEROL, pH 6.50 |
