6V8S
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 | 2015-02-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.161, 90.027, 94.245 |
| Unit cell angles | 94.13, 106.91, 97.23 |
Refinement procedure
| Resolution | 38.090 - 2.100 |
| R-factor | 0.2336 |
| Rwork | 0.232 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6v8h |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.628 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.056 | 0.239 |
| Rmeas | 0.080 | 0.337 |
| Rpim | 0.056 | 0.239 |
| Number of reflections | 129928 | 6835 |
| <I/σ(I)> | 19.7 | 4.4 |
| Completeness [%] | 91.6 | 96.3 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 0.1M HEPES, 2.0M Ammonium Sulfate, pH 8.0 |
