2W9X
The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 |
| Unit cell lengths | 75.274, 75.274, 141.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23100 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.275 |
| 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] | 53.220 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.630 |
| Number of reflections | 53120 | |
| <I/σ(I)> | 15.6 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1 M IMIDAZOLE PH 8.0, 10% PEG 8000 |
