6ZDM
Crystal structure of human heparanase in complex with a N',6O'-bis-sulfated 4-methylumbelliferyl heparan sulfate disaccharide
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 | 2019-02-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.974, 70.856, 78.455 |
| Unit cell angles | 90.00, 97.13, 90.00 |
Refinement procedure
| Resolution | 52.400 - 1.714 |
| Rwork | 0.179 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e8m |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.574 |
| Data reduction software | xia2 |
| Data scaling software | STARANISO |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.400 | 1.951 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.045 | 0.667 |
| Rpim | 0.025 | 0.371 |
| Number of reflections | 24849 | 1243 |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 91.0 | 65.7 |
| Redundancy | 4.1 | |
| CC(1/2) | 0.999 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 5.5, 0.1 M MgCl2, 17% PEG3350 |
