8CU3
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 283.15 |
| Detector technology | CCD |
| Collection date | 2020-03-21 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.02-1.15 |
| Spacegroup name | I 4 |
| Unit cell lengths | 68.816, 68.816, 90.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.590 - 2.010 |
| R-factor | 0.3394 |
| Rwork | 0.338 |
| R-free | 0.37440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8ctn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.067 |
| Data reduction software | Precognition |
| Data scaling software | Precognition |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.077 | 0.077 |
| Number of reflections | 10678 | 546 |
| <I/σ(I)> | 42.48 | 7.53 |
| Completeness [%] | 75.3 | 31.1 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM KCl, 200mM potassium citrate tribasic monohydrate, 100mM MES (pH 6.0 or 6.5), 56%-68% 2-methyl-2,4-pentanediol (MPD) |
