6B2D
Crystal structure of fluoride channel Fluc Ec2 T114S Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 41 |
| Unit cell lengths | 87.090, 87.090, 143.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.840 - 3.010 |
| R-factor | 0.2385 |
| Rwork | 0.238 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kbn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.840 | 37.840 | 3.190 |
| High resolution limit [Å] | 3.010 | 9.030 | 3.010 |
| Rmerge | 0.099 | 0.031 | 1.475 |
| Rmeas | 0.106 | 0.033 | 1.566 |
| Rpim | 0.036 | 0.011 | 0.523 |
| Total number of observations | 185752 | 6700 | 30177 |
| Number of reflections | 21243 | 801 | 3392 |
| <I/σ(I)> | 14.1 | 57.6 | 1.5 |
| Completeness [%] | 99.8 | 97.9 | 99.6 |
| Redundancy | 8.7 | 8.4 | 8.9 |
| CC(1/2) | 0.999 | 0.999 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 295 | 31% PEG 600, 100 mM ADA, 10 mM HEPES, 100 mM NaF, 50 mM LiNO3 |
