3ABX
CcCel6C, a glycoside hydrolase family 6 enzyme, complexed with p-nitrophenyl beta-D-cellotrioside
Replaces: 3A9AExperimental 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 | 43.876, 45.153, 48.989 |
| Unit cell angles | 77.63, 86.87, 68.80 |
Refinement procedure
| Resolution | 24.890 - 1.400 |
| R-factor | 0.16599 |
| Rwork | 0.163 |
| R-free | 0.18875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a64 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.064 | 0.175 |
| Number of reflections | 63990 | |
| <I/σ(I)> | 25.7 | 3.3 |
| Completeness [%] | 94.8 | 90.6 |
| 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 |
