6B2B
Crystal structure of fluoride channel Fluc Ec2 F83M Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 41 |
| Unit cell lengths | 86.986, 86.986, 141.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 2.600 |
| R-factor | 0.2222 |
| Rwork | 0.221 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kbn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.134 |
| 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] | 47.140 | 47.140 | 2.720 |
| High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
| Rmerge | 0.103 | 0.030 | 1.907 |
| Rmeas | 0.107 | 0.032 | 1.984 |
| Rpim | 0.030 | 0.009 | 0.546 |
| Total number of observations | 415917 | 9784 | 52171 |
| Number of reflections | 32347 | 798 | 3944 |
| <I/σ(I)> | 15 | 56.8 | 1.5 |
| Completeness [%] | 99.9 | 98.4 | 99.9 |
| Redundancy | 12.9 | 12.3 | 13.2 |
| CC(1/2) | 1.000 | 1.000 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 295 | 30% PEG 550mme, 100 mM ADA, 10 mM HEPES, 100 mM NaF, 50 mM LiNO3 |
