8X09
X-Ray crystal structure of glycoside hydrolase family 6 cellobiohydrolase from Phanerochaete chrysosporium PcCel6A C240S/C393S soaked in methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside
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 | 2019-06-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.530, 67.258, 88.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.390 - 1.650 |
| R-factor | 0.1492 |
| Rwork | 0.147 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.883 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.390 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.086 | 0.661 |
| Number of reflections | 37851 | 1332 |
| <I/σ(I)> | 21.6 | 2.4 |
| Completeness [%] | 95.1 | 69.3 |
| Redundancy | 12 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | PEG 4000, sodium acetate, sodium chloride |
