8OHW
Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor
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 | 2019-11-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979330 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.370, 104.610, 113.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.758 - 1.270 |
Rwork | 0.160 |
R-free | 0.18150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.911 |
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] | 61.758 | 1.290 |
High resolution limit [Å] | 1.270 | 1.270 |
Number of reflections | 238876 | 11543 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 99.9 | |
Redundancy | 8.2 | |
CC(1/2) | 0.999 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate pH 5.0, 14% (w/v) PEG 6000 |