3AYS
GH5 endoglucanase from a ruminal fungus in complex with cellotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.204, 82.204, 221.856 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.16427 |
Rwork | 0.162 |
R-free | 0.21826 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3ayr |
RMSD bond length | 0.018 |
RMSD bond angle | 1.913 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.076 | 0.619 |
Number of reflections | 22798 | |
<I/σ(I)> | 60.7 | 8.3 |
Completeness [%] | 97.0 | 97.3 |
Redundancy | 23.1 | 25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.5M sodium citrate, 6mM cellotetraose, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |