1FBW
Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellohexaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.380, 84.920, 121.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.960 - 2.000 |
| Rwork | 0.161 |
| R-free | 0.19600 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 9.960 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.122 | 0.469 |
| Number of reflections | 35670 | |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 94.1 | 94.9 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 * | PEG 4000, HEPES, calcium chloride, Cellohexaose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | substrate/inhibitor | 4 (mM) | |
| 3 | 1 | drop | IG4 | 2 (mM) | |
| 4 | 1 | reservoir | 0.5 (M) | or 0.3M |
