3A9B
CcCel6C, a glycoside hydrolase family 6 enzyme, complexed with cellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.168, 45.395, 49.128 |
| Unit cell angles | 77.57, 86.91, 68.60 |
Refinement procedure
| Resolution | 23.580 - 1.200 |
| R-factor | 0.14861 |
| Rwork | 0.148 |
| R-free | 0.16892 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a64 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.202 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.580 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.036 | 0.184 |
| Number of reflections | 100613 | |
| <I/σ(I)> | 29.4 | 3.7 |
| Completeness [%] | 92.9 | 89.4 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30% PEG 8000, 0.1M HEPES-KOH, 0.15M magnesium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
