6BX4
The crystal structure of fluoride channel Fluc Ec2 with Monobody S9
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] | 77 |
| Detector technology | CCD |
| Collection date | 2017-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 41 |
| Unit cell lengths | 87.412, 87.412, 144.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.340 - 2.550 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kbn |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.594 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.410 | 87.410 | 2.660 |
| High resolution limit [Å] | 2.550 | 8.830 | 2.550 |
| Rmerge | 0.098 | 0.037 | 1.509 |
| Rmeas | 0.102 | 0.039 | 1.562 |
| Rpim | 0.026 | 0.011 | 0.400 |
| Total number of observations | 533931 | 13273 | 65598 |
| Number of reflections | 35318 | 884 | 4320 |
| <I/σ(I)> | 15.4 | 55.4 | 2.1 |
| Completeness [%] | 99.9 | 100 | 100 |
| Redundancy | 15.1 | 15 | 15.2 |
| CC(1/2) | 0.999 | 0.999 | 0.956 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM ADA-NaOH, 50 mM LiNO3, 31% PEG 600 |
