4AVO
Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D274A cocrystallized with cellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-17 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.680, 92.210, 49.620 |
| Unit cell angles | 90.00, 111.92, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.15644 |
| Rwork | 0.155 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED WILD TYPE CEL6B |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.116 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 1.900 |
| High resolution limit [Å] | 1.750 | 1.800 |
| Rmerge | 0.100 | 0.300 |
| Number of reflections | 32986 | |
| <I/σ(I)> | 10.7 | 4.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 20% PEG 6000, 0.1 M CACL2, 0.1 M SODIUM ACETATE PH 4, ABOUT 10MM CELLOBIOSE. |
