3VGI
The crystal structure of hyperthermophilic family 12 endocellulase from Pyrococcus furiosus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.8000, 0.9000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.014, 118.665, 46.759 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.070 |
R-factor | 0.1285 |
Rwork | 0.127 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.340 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.090 |
High resolution limit [Å] | 1.070 | 2.900 | 1.070 |
Rmerge | 0.062 | 0.046 | 0.324 |
Number of reflections | 130828 | ||
<I/σ(I)> | 18.8 | ||
Completeness [%] | 92.2 | 98.1 | 81.2 |
Redundancy | 9.1 | 13.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 303 | 0.1M CHES, 0.5M potassium sodium tartrate, 0.05M lithium sulfate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 303.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 303 | 0.1M CHES, 0.5M potassium sodium tartrate, 0.05M lithium sulfate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 303.0K |