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 |