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 |
