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 |
