5A8C
The ultra high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405 with bound trimethyl N-Oxide (TRS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.440, 67.700, 51.010 |
| Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
| Resolution | 39.950 - 0.970 |
| R-factor | 0.10413 |
| Rwork | 0.103 |
| R-free | 0.12384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c7e |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.799 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.760 | 1.000 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 119795 | |
| <I/σ(I)> | 16.5 | 2 |
| Completeness [%] | 71.5 | 6.7 |
| Redundancy | 7.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M TRIS PH 8.5, 20% PEG 2000 MONOMETHYL ETHER, 0.2 M TRIMETHYL N-OXIDE, WITH PARATONE-N USED AS CRYOPROTECTANT |
