1RQ5
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 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-10 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 108.600, 108.600, 119.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE STRUCTURE OF Ig-GH9_CbhA |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.858 |
| Data reduction software | PROTEUM PLUS (software package) |
| Data scaling software | PROTEUM PLUS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.064 | 0.240 |
| Number of reflections | 29695 | |
| <I/σ(I)> | 8.5 | 1.6 |
| Completeness [%] | 84.0 | 95.8 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 0.1M SrCl2, 20% PEG4000, 0.2M (NH4)2SO4, 0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
