6V8J
Crystal structure of Ara h 8.0201
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.406, 59.209, 67.078 |
| Unit cell angles | 89.96, 89.99, 71.02 |
Refinement procedure
| Resolution | 31.960 - 1.950 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| 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 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.062 | 0.376 |
| Rmeas | 0.084 | 0.514 |
| Rpim | 0.057 | 0.348 |
| Number of reflections | 39685 | 1963 |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 97.5 | 96.1 |
| Redundancy | 2.2 | 2.1 |
| CC(1/2) | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9.5 | 298 | 10 mM CHES/NaOH, 20%w/v PEG 8000, pH 9.5 |
