8W96
SmChiA with diacetyl chitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-14 |
| Detector | DECTRIS PILATUS3 S 1M |
| Wavelength(s) | 0.72 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 130.900, 200.450, 59.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.630 - 2.200 |
| R-factor | 0.1643 |
| Rwork | 0.162 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.753 |
| 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] | 43.977 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.161 | 0.758 |
| Number of reflections | 76535 | 12280 |
| <I/σ(I)> | 9.38 | 2.4 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 700mM sodium citrate, 10% methanol, 5% glycerol |
