5E9B
Crystal structure of human heparanase in complex with HepMer M09S05a
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 | 2015-07-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.850 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.990, 71.060, 78.290 |
Unit cell angles | 90.00, 95.09, 90.00 |
Refinement procedure
Resolution | 52.520 - 1.880 |
Rwork | 0.178 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e8m |
RMSD bond length | 0.008 |
RMSD bond angle | 1.581 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.520 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.060 | 1.010 |
Number of reflections | 40880 | 3018 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.8 | |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M MES [5.5] 0.1 M MgCl2 17% PEG3350 |