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 |