7ZNA
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 5.2 in the presence 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 | 2021-03-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.570, 109.590, 119.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.1982 |
Rwork | 0.197 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xio |
RMSD bond length | 0.004 |
RMSD bond angle | 1.131 |
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] | 49.817 | 1.916 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.104 | 3.376 |
Number of reflections | 65268 | 3262 |
<I/σ(I)> | 14.1 | 0.8 |
Completeness [%] | 94.9 | |
Redundancy | 13.1 | |
CC(1/2) | 0.999 | 0.316 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 0.8 M Na/K-Pi pH 8.2 crystals soaked in 1.2 M Na/K-Pi pH 5.2 before harvesting |