8X0Q
X-Ray crystal structure of glycoside hydrolase family 6 cellobiohydrolase from Phanerochaete chrysosporium PcCel6A C240S/C393S/D394C cocrystallized with cellotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2022-07-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.632, 67.564, 88.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.480 - 1.000 |
| R-factor | 0.1576 |
| Rwork | 0.157 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.862 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.480 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.043 | 1.063 |
| Number of reflections | 166524 | 7474 |
| <I/σ(I)> | 27.7 | 2.3 |
| Completeness [%] | 94.4 | 86.6 |
| Redundancy | 13.2 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | PEG 4000, sodium acetate, sodium chloride |
