3QHN
Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from pyrococcus horikoshii
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 | 2008-12-02 |
| Detector | RIGAKU JUPITER 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.325, 58.347, 138.271 |
| Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
| Resolution | 28.990 - 1.990 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zum |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.845 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.072 | 0.287 |
| Number of reflections | 79673 | |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 95.1 | 82.1 |
| Redundancy | 3.4 | 3.1 |
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 |
