8JIY
A carbohydrate binding domain of a putative chondroitinase
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 | 2023-04-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.313, 56.634, 69.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.560 - 1.550 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.22840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.767 |
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] | 43.890 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.056 | 0.238 |
Rmeas | 0.062 | 0.271 |
Rpim | 0.026 | 0.127 |
Total number of observations | 169904 | 6887 |
Number of reflections | 32725 | 1596 |
<I/σ(I)> | 17 | 4.4 |
Completeness [%] | 99.4 | |
Redundancy | 5.2 | 4.3 |
CC(1/2) | 0.998 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG 3350, 0.2 M Ammonium sulfate |