2RFZ
Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8162 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.800, 94.370, 189.910 |
Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.261 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.024 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 161992 | |
<I/σ(I)> | 10.3 | 4.1 |
Completeness [%] | 97.7 | 97.2 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 12% PEG4000, 0.1M calcium chloride, 0.1M cacodylate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |