8B0B
Crystal structure of human heparanase in complex with covalent inhibitor VB151
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976284 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.442, 70.846, 78.293 |
| Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
| Resolution | 52.312 - 1.950 |
| Rwork | 0.232 |
| R-free | 0.29080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e98 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.677 |
| 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] | 52.312 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 35113 | 2450 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.989 | 0.621 |
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 |
