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 |