5W11
Biochemical and structural insights into the catalytic mechanism of thermostable cellobiohydrolase Cel7A from industrially relevant fungus Myceliophthora thermophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.619, 93.261, 69.679 |
| Unit cell angles | 90.00, 100.46, 90.00 |
Refinement procedure
| Resolution | 44.157 - 2.311 |
| R-factor | 0.1401 |
| Rwork | 0.137 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4csi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 2.390 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.173 | 0.428 |
| Number of reflections | 33700 | 3146 |
| <I/σ(I)> | 10.3 | 4 |
| Completeness [%] | 98.9 | 94.1 |
| Redundancy | 6.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 25% (w/v) PEG 8K and 2.5 mM CaCl2 |
