6V8H
Crystal structure of Ara h 8.0201
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 | CCD |
| Collection date | 2015-06-28 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.997, 111.275, 80.021 |
| Unit cell angles | 90.00, 93.70, 90.00 |
Refinement procedure
| Resolution | 27.830 - 2.310 |
| R-factor | 0.2289 |
| Rwork | 0.227 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.457 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.082 | 0.492 |
| Rmeas | 0.094 | 0.564 |
| Rpim | 0.045 | 0.273 |
| Number of reflections | 48973 | 2377 |
| <I/σ(I)> | 22.1 | 2.4 |
| Completeness [%] | 97.1 | 93.8 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 295 | 0.15M HEPES, 2.4M Ammonium Sulfate, pH 8.0 |
