6CSN
Crystal structure of the designed light-gated anion channel iC++ at pH8.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.520, 142.520, 91.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.546 - 2.900 |
R-factor | 0.2331 |
Rwork | 0.232 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ug9 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.971 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.546 | 47.546 | 3.080 |
High resolution limit [Å] | 2.900 | 8.670 | 2.900 |
Rmerge | 0.338 | 0.049 | 4.781 |
Rmeas | 0.372 | 0.054 | 5.260 |
Number of reflections | 9042 | 372 | 1468 |
<I/σ(I)> | 7.05 | 25.9 | 0.86 |
Completeness [%] | 99.3 | 95.4 | 99.4 |
Redundancy | 5.878 | 5.368 | 5.892 |
CC(1/2) | 0.988 | 0.999 | 0.291 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8.5 | 293 | 28% PEG 350MME, 100 mM Tris pH 8.5, 100 mM ammonium phosphate dibasic, 7-8% formamide |
1 | LIPIDIC CUBIC PHASE | 8.5 | 293 | 28% PEG 350MME, 100 mM Tris pH 8.5, 100 mM ammonium phosphate dibasic, 7-8% formamide |