4JQ6
Crystal structure of blue light-absorbing proteorhodopsin from Med12 at 2.3 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Wavelength(s) | 0.979 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 87.267, 101.952, 87.357 |
Unit cell angles | 90.00, 119.52, 90.00 |
Refinement procedure
Resolution | 21.160 - 2.310 |
R-factor | 0.21087 |
Rwork | 0.208 |
R-free | 0.26596 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | proteorhodopsin mutant D97N from HOT75 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.010 | 38.010 | 2.430 |
High resolution limit [Å] | 2.300 | 7.290 | 2.300 |
Rmerge | 0.092 | 0.034 | 0.717 |
Number of reflections | 28615 | ||
<I/σ(I)> | 11.3 | 31.6 | 1.9 |
Completeness [%] | 98.3 | 98.8 | 90.1 |
Redundancy | 5 | 5.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | Crystals were grown using the bicelle method. The crystallization buffer was 32% v/v (+/-)-2-methyl-2,4-pentanediol, 100 mM sodium acetate pH 4.5 and 20 mM calcium chloride, VAPOR DIFFUSION |