7OPH
NaK S-DI mutant with Na+ and K+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.130, 88.021, 49.313 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.010 - 1.420 |
R-factor | 0.1542 |
Rwork | 0.153 |
R-free | 0.17940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e86 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.902 |
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] | 38.010 | 1.470 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.083 | |
Rmeas | 0.091 | |
Rpim | 0.036 | |
Number of reflections | 33665 | 3308 |
<I/σ(I)> | 12.67 | 0.73 |
Completeness [%] | 99.8 | 99.61 |
Redundancy | 6.4 | 6.3 |
CC(1/2) | 0.999 | 0.403 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 200 mM KCl, 100 mM HEPES (KOH) pH 7.5, 62% MPD (2-Methyl-2,4-pentanediol racemate) |