9GRW
Structure of Heparinase I from Bacteroides eggerthii in complex with calcium cofactor
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 | 2022-12-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.953738 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.194, 91.485, 73.448 |
| Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
| Resolution | 54.290 - 1.850 |
| Rwork | 0.210 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.254 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.290 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.387 | 2.965 |
| Rpim | 0.159 | 1.207 |
| Number of reflections | 78798 | 3893 |
| <I/σ(I)> | 6.4 | 0.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 7 | |
| CC(1/2) | 0.966 | 0.351 |
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 |
