6K54
Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.582, 138.699, 110.636 |
Unit cell angles | 90.00, 101.99, 90.00 |
Refinement procedure
Resolution | 35.944 - 1.905 |
R-factor | 0.1769 |
Rwork | 0.176 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6k52 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.858 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.944 | 1.973 |
High resolution limit [Å] | 1.905 | 1.905 |
Rmerge | 0.127 | |
Rmeas | 0.138 | |
Rpim | 0.053 | 0.446 |
Number of reflections | 194529 | 109980 |
<I/σ(I)> | 17.78 | 2.4 |
Completeness [%] | 99.3 | 94.47 |
Redundancy | 6.6 | 6 |
CC(1/2) | 0.996 | 0.716 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% (w/v) PEG1000, 0.2M calcium acetate, 0.1M imidazole (pH 8.0), 0.5mM cellotriose |