7KKB
Fluoride channel Fluc-Ec2 mutant S81C with bromide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-02-28 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.91836 |
Spacegroup name | P 41 |
Unit cell lengths | 87.170, 87.170, 142.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.650 - 2.900 |
R-factor | 0.2229 |
Rwork | 0.221 |
R-free | 0.25860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a43 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.650 | 46.650 | 3.080 |
High resolution limit [Å] | 2.900 | 8.700 | 2.900 |
Rmerge | 0.370 | 0.073 | 3.496 |
Rmeas | 0.386 | 0.079 | 3.635 |
Rpim | 0.108 | 0.026 | 0.992 |
Total number of observations | 295813 | 11444 | 49372 |
Number of reflections | 23623 | 906 | 3785 |
<I/σ(I)> | 9.8 | 28 | 2.5 |
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 12.5 | 12.6 | 13 |
CC(1/2) | 0.981 | 0.979 | 0.592 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 0.1M glycine pH 9 36% PEG 600 |