4A05
Structure of the catalytic core domain of the cellobiohydrolase, Cel6A, from Chaetomium thermophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.710, 76.060, 107.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.030 - 1.900 |
| R-factor | 0.16875 |
| Rwork | 0.167 |
| R-free | 0.19722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oc6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0086) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.200 |
| Number of reflections | 32910 | |
| <I/σ(I)> | 14.6 | 7.4 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 6000, 0.1M HEPES PH 7.0, 0.14 M LICL |
