1W8Z
CBM29-2 mutant K85A: 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 | P 43 21 2 |
| Unit cell lengths | 93.040, 93.040, 83.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.850 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.574 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.660 |
| Number of reflections | 31748 | |
| <I/σ(I)> | 22.1 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100 MM NA/HEPES BUFFER PH 7.5, 150 MM KSCN, 20% (ETHYLENE GLYCOL, 18% PEG3350 |
