2WAB
Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase
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 21 21 2 |
| Unit cell lengths | 41.158, 141.235, 58.161 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.120 - 1.900 |
| R-factor | 0.158 |
| Rwork | 0.156 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE PROTEIN SEE REFERENCE FOR DETAILS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.634 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.350 |
| Number of reflections | 27641 | |
| <I/σ(I)> | 10.8 | 3.9 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% W/V PEG 3350 AND 0.2 - 0.3M AMMONIUM IODIDE, CELLOHEXAOSE AT 1MM |
