9DFF
G1 domain of human aggrecan bound to hyaluronan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.067, 64.943, 112.206 |
| Unit cell angles | 90.00, 109.33, 90.00 |
Refinement procedure
| Resolution | 41.030 - 2.590 |
| R-factor | 0.1968 |
| Rwork | 0.194 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.726 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.163 | 0.542 |
| Rmeas | 0.194 | 0.655 |
| Rpim | 0.104 | 0.361 |
| Number of reflections | 29486 | 2940 |
| <I/σ(I)> | 6.08 | 1.46 |
| Completeness [%] | 96.3 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.968 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG 10,000, 50 mM Bis-Tris propane 9.0, 200 mM NH4OAc |
