8OHR
Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
This is a non-PDB format compatible entry.
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 | 2021-02-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.436, 71.080, 78.232 |
| Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
| Resolution | 43.994 - 1.800 |
| Rwork | 0.180 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.650 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.994 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 44493 | 2569 |
| <I/σ(I)> | 8.8 | 1.4 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.993 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M MES pH 5.5, 0.1 M MgCl2, 17% PEG3350 |
