6RFB
Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-22 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.968 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 40.796, 83.000, 234.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.2281 |
| Rwork | 0.226 |
| R-free | 0.27940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.570 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.780 | 40.780 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.088 | 0.017 | 1.674 |
| Rmeas | 0.100 | 0.019 | 1.891 |
| Rpim | 0.046 | 0.009 | 0.866 |
| Total number of observations | 107962 | 1404 | 9224 |
| Number of reflections | 23679 | 367 | 1936 |
| <I/σ(I)> | 10.9 | 46.5 | 1 |
| Completeness [%] | 99.4 | 98.1 | 100 |
| Redundancy | 4.6 | 3.8 | 4.8 |
| CC(1/2) | 0.999 | 1.000 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 2.0 M Sodium Malonate, pH 4.3 |
