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 |