9FNL
The structure of CBM42 from Clostridium thermocellum in complex with arabinofuranosyl xylobiose (A3X) substrate molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.169, 76.283, 77.766 |
| Unit cell angles | 91.11, 110.66, 99.46 |
Refinement procedure
| Resolution | 35.930 - 2.100 |
| R-factor | 0.1664 |
| Rwork | 0.164 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.930 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.290 |
| Rmeas | 0.100 | 0.370 |
| Rpim | 0.064 | 0.220 |
| Number of reflections | 66427 | 4460 |
| <I/σ(I)> | 5.3 | 2.1 |
| Completeness [%] | 97.6 | |
| Redundancy | 2.4 | |
| CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.0M Ammonium sulfate and 0.1M MES buffer at pH 6.5 |
