9NXI
CBM42 domain of alpha-l-arabinofuranosidase (AtAbf43C) from Acetivibrio thermocellus DSM1313
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92015 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 48.186, 97.976, 37.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.490 - 1.750 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.931 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.490 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.078 | 0.732 |
| Rmeas | 0.085 | 0.796 |
| Rpim | 0.033 | 0.310 |
| Total number of observations | 124976 | 8853 |
| Number of reflections | 18901 | 1373 |
| <I/σ(I)> | 16.6 | 2.4 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | 6.4 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3 | 293 | PEG3350, Citric Acid pH 3.0 |
