2WAO
Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-02 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.634, 60.082, 69.000 |
| Unit cell angles | 90.00, 78.02, 90.00 |
Refinement procedure
| Resolution | 40.720 - 1.800 |
| R-factor | 0.146 |
| Rwork | 0.144 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.591 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.600 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.300 |
| Number of reflections | 31011 | |
| <I/σ(I)> | 12.7 | 3.9 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
