7ZND
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.6 in the absence of sodium at 100K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.095, 109.364, 119.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.985 |
R-factor | 0.2506 |
Rwork | 0.249 |
R-free | 0.28190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xio |
RMSD bond length | 0.002 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.792 | 2.168 |
High resolution limit [Å] | 1.985 | 1.985 |
Rmerge | 0.114 | 1.636 |
Number of reflections | 42397 | 2567 |
<I/σ(I)> | 13.7 | 1.3 |
Completeness [%] | 90.2 | |
Redundancy | 12 | |
CC(1/2) | 0.999 | 0.441 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 1.2 M Ammonium phosphate pH 7.6 |