4C8X
Crystal structure of carbohydrate-binding module CBM3b mutant (Y56S) from the cellulosomal cellobiohydrolase 9A from Clostridium thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 |
| Unit cell lengths | 95.186, 95.186, 83.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.593 - 1.998 |
| R-factor | 0.1631 |
| Rwork | 0.161 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ylk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.063 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | |
| Number of reflections | 50720 | |
| <I/σ(I)> | 13 | 1.6 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.93 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M DIAMMONIUM HYDROGEN CITRATE, 20% PEG3350, pH 7.5 |
