6JXK
Rb+-bound E2-MgF state of the gastric proton pump (Wild-type)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-06-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 191.510, 106.430, 250.960 |
Unit cell angles | 90.00, 107.79, 90.00 |
Refinement procedure
Resolution | 47.790 - 4.300 |
R-factor | 0.2666 |
Rwork | 0.263 |
R-free | 0.33840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ylu |
RMSD bond length | 0.004 |
RMSD bond angle | 0.981 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 4.500 |
High resolution limit [Å] | 4.300 | 4.300 |
Number of reflections | 31390 | |
<I/σ(I)> | 7.19 | 0.92 |
Completeness [%] | 94.9 | 53.46 |
Redundancy | 6.6 | |
CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% glycerol, 15% PEG6000, 0.1M CH3COOK, 6% methylpentanediol, 5 mM beta-mercaptoethanol |