1UT9
Structural Basis for the Exocellulase Activity of the Cellobiohydrolase CbhA from C. thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.546, 75.760, 137.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.000 * - 2.100 |
| R-factor | 0.14928 |
| Rwork | 0.147 |
| R-free | 0.18500 * |
| Structure solution method | MIRAS |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.381 * |
| Data reduction software | PROTEUM |
| Data scaling software | PROTEUM |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.081 * | 0.248 * |
| Number of reflections | 41182 | |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 91.6 * | 65.9 * |
| Redundancy | 2.8 * | 1.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8.5 | 273 * | 20% PEG4000, 0.2M (NH4)2SO4, 0.1M TRIS, PH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 25 (mM) | pH8.5 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | reservoir | PEG4000 | 20 (%) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 6 | 1 | reservoir | Tris | 0.1 (M) | pH7.0 |
