8A7X
NaK C-DI F92A mutant soaked in Cs+
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 | 2020-01-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | I 4 |
Unit cell lengths | 68.160, 68.160, 90.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.120 - 2.100 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e86 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.427 |
Data reduction software | DIALS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.120 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.123 | 0.915 |
Rpim | 0.094 | 0.715 |
Number of reflections | 22957 | 2360 |
<I/σ(I)> | 44.22 | 1.42 |
Completeness [%] | 96.1 | 96.97 |
Redundancy | 2.2 | 2.2 |
CC(1/2) | 0.936 | 0.392 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 200 mM CsCl 100 mM Tris-HCl pH 8.0, 63% MPD (2-Methyl-2,4-pentanediol racemate) - soaked in 90 mM CsCl, 100 mM Kryptofix-222, 50% MPD |