8A35
NaK C-DI mutant with Rb+ and Na+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.815 |
Spacegroup name | I 4 |
Unit cell lengths | 68.062, 68.062, 90.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.030 - 2.050 |
R-factor | 0.2147 |
Rwork | 0.192 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e86 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.538 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.030 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.041 | 0.847 |
Rmeas | 0.052 | |
Rpim | 0.031 | 0.639 |
Number of reflections | 24525 | 2442 |
<I/σ(I)> | 12.43 | 1.01 |
Completeness [%] | 96.5 | 96.71 |
Redundancy | 2.4 | 2.4 |
CC(1/2) | 0.999 | 0.410 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM HEPES (NaOH) pH 7.5, 5% PEG 4000, 30% MPD (2-Methyl-2,4-pentanediol racemate) |