9O1U
Heparanase P6 in complex with fragment J16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-08 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.382, 66.453, 122.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.030 - 1.900 |
| R-factor | 0.1931 |
| Rwork | 0.190 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.906 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.030 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.482 | 3.732 |
| Rmeas | 0.501 | 3.874 |
| Rpim | 0.135 | 1.030 |
| Total number of observations | 525682 | 34362 |
| Number of reflections | 38981 | 2476 |
| <I/σ(I)> | 5.4 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.5 | 13.9 |
| CC(1/2) | 0.986 | 0.402 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium sulfate, 0.1 M ammoniuma acetate, 25% PEG 4000 |
