9AZ7
Chloride Sites in Photoactive Yellow Protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2012-05-25 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | P 63 |
Unit cell lengths | 66.830, 66.830, 40.960 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.880 - 2.000 |
R-factor | 0.1375 |
Rwork | 0.133 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.804 |
Data reduction software | XDS (March 15, 2012) |
Data scaling software | XSCALE (March 15, 2012) |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.880 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.026 | 0.068 |
Number of reflections | 13007 | 702 |
<I/σ(I)> | 48.47 | 20 |
Completeness [%] | 94.4 | 67.4 |
Redundancy | 5.6 | 4.47 |
CC(1/2) | 1.000 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 2.2 M ammonium sulfate, 1.0 M sodium chloride, 20 mM sodium phosphate |