4AVN
Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D226A- S232A cocrystallized with cellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.520, 92.080, 49.780 |
| Unit cell angles | 90.00, 111.85, 90.00 |
Refinement procedure
| Resolution | 46.200 - 2.000 |
| R-factor | 0.1565 |
| Rwork | 0.154 |
| R-free | 0.19802 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED WILD TYPE CEL6B |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| 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] | 30.000 | 2.110 |
| High resolution limit [Å] | 1.780 | 2.000 |
| Rmerge | 0.100 | 0.340 |
| Number of reflections | 23941 | |
| <I/σ(I)> | 15.3 | 5.7 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 20% PEG 6000, 0.1 M CALCIUM CHLORIDE, 0.1 M SODIUM ACETATE PH 4, ABOUT 10 MM CELLOBIOSE. |
