5L9Z
Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355
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 | 2015-08-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.190, 71.050, 78.690 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.570 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.19334 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e8m |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.728 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.610 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.048 | 0.862 |
| Number of reflections | 70155 | |
| <I/σ(I)> | 15.8 | 1.7 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 17% PEG3350 0.1 M MES 5.5 0.1 M MgCl2 200 nL:500 nL protein:drop ratio |
