8ZQF
Crystal structure of a novel alginate-binding carbohydrate binding module
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-04-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97907 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.950, 64.360, 41.440 |
Unit cell angles | 90.00, 110.80, 90.00 |
Refinement procedure
Resolution | 19.370 - 1.500 |
R-factor | 0.1831 |
Rwork | 0.181 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.877 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.370 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.119 | 0.231 |
Rmeas | 0.129 | 0.251 |
Rpim | 0.051 | 0.096 |
Total number of observations | 196600 | 9936 |
Number of reflections | 30419 | 1471 |
<I/σ(I)> | 13.5 | 9.7 |
Completeness [%] | 99.3 | |
Redundancy | 6.5 | 6.8 |
CC(1/2) | 0.989 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2.1 M DL-Malic acid pH 7.0 |