3QHO
Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii
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 | 2009-03-27 |
Detector | Bruker DIP-6040 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.164, 58.528, 138.317 |
Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
Resolution | 33.670 - 1.650 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zum |
RMSD bond length | 0.025 |
RMSD bond angle | 2.085 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.064 | 0.308 |
Number of reflections | 139746 | |
<I/σ(I)> | 25.1 | |
Completeness [%] | 94.9 | 84.8 |
Redundancy | 3.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 1.5M AMMONIUM PHOSPHATE, 0.1M MES BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |