9GV9
Structure of Heparinase I from Bacteroides eggerthii in complex with calcium cofactor and delta-UA(1-4)Glc 3, 6, N-Sulphated disaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.953738 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.590, 91.563, 73.443 |
| Unit cell angles | 90.00, 95.59, 90.00 |
Refinement procedure
| Resolution | 76.452 - 1.715 |
| Rwork | 0.204 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.202 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.452 | 1.896 |
| High resolution limit [Å] | 1.715 | 1.715 |
| Rmerge | 0.165 | 1.045 |
| Number of reflections | 56421 | 2821 |
| <I/σ(I)> | 7.7 | 1.7 |
| Completeness [%] | 90.4 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.983 | 0.596 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate pH 5.0, 2 M ammonium sulphate |
