8OHQ
Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B
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 | 2015-05-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.917330 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.110, 70.920, 78.560 |
| Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
| Resolution | 45.938 - 1.700 |
| Rwork | 0.174 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.650 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.938 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 55285 | 2968 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.6 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.998 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M MES pH 5.5, 0.1 M MgCl2, 17% PEG3350 |
