8AYQ
NaK C-DI mutant with Rb+ and Ca2+
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 | 2018-05-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.815 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.570, 175.508, 67.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.780 - 2.750 |
R-factor | 0.2576 |
Rwork | 0.255 |
R-free | 0.30040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e86 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.161 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.780 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rpim | 0.132 | 0.874 |
Number of reflections | 18778 | 984 |
<I/σ(I)> | 4.12 | |
Completeness [%] | 96.0 | 92.28 |
Redundancy | 2.1 | 2 |
CC(1/2) | 0.989 | 0.397 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 100 mM MES (NaOH), 40% v/v MPD (2-Methyl-2,4-pentanediol racemate) |