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 |