8SI1
Ara h 6 16A8 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.550, 155.313, 286.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.780 - 3.200 |
| R-factor | 0.2496 |
| Rwork | 0.247 |
| R-free | 0.29970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.520 |
| Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200417) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.800 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.051 | 0.051 |
| Number of reflections | 36411 | 3861 |
| <I/σ(I)> | 20.7 | 2.42 |
| Completeness [%] | 92.5 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.999 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Bis Tris pH 5.5, 100 mM Ammonium Sulfate, 20% PEG 3350 |
