7ZMY
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 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 | 2021-12-20 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.240, 109.570, 119.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xio |
RMSD bond length | 0.006 |
RMSD bond angle | 1.223 |
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] | 49.799 | 1.742 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.079 | 3.353 |
Number of reflections | 91083 | 4556 |
<I/σ(I)> | 15.9 | 0.9 |
Completeness [%] | 93.1 | 78.8 |
Redundancy | 13.8 | |
CC(1/2) | 0.993 | 0.352 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 0.8 M Na/K-Pi pH 8.2 |