6JXJ
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
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 | 2018-05-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 103.230, 103.230, 369.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.710 - 2.500 |
R-factor | 0.2175 |
Rwork | 0.214 |
R-free | 0.27310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ylu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.212 |
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] | 50.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 61014 | 61013 |
<I/σ(I)> | 11.64 | 0.77 |
Completeness [%] | 76.0 | |
Redundancy | 8 | |
CC(1/2) | 0.990 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% glycerol, 20% PEG2000MME, 0.4 M RbCl, 3% methylpentanediol, 5 mM beta-mercaptoethanol |