8BAC
Crystal structure of human heparanase in complex with competitive inhibitor GD05
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 | 2020-12-16 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976254 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.838, 71.188, 78.628 |
Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
Resolution | 37.677 - 2.050 |
Rwork | 0.224 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7prt |
RMSD bond length | 0.007 |
RMSD bond angle | 1.501 |
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] | 37.677 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 30692 | 2345 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 99.6 | |
Redundancy | 6.7 | |
CC(1/2) | 0.993 | 0.672 |
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% PEG 3350 |