6YBZ
Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.343, 240.477, 135.415 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xto |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.088 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.130 | 48.130 | 2.390 |
| High resolution limit [Å] | 2.350 | 12.660 | 2.350 |
| Rmerge | 0.110 | 0.029 | 1.925 |
| Rmeas | 0.119 | 0.031 | 2.090 |
| Rpim | 0.045 | 0.012 | 0.808 |
| Total number of observations | 618977 | 4153 | 30031 |
| Number of reflections | 89161 | 638 | 4530 |
| <I/σ(I)> | 11.3 | 42.3 | 1 |
| Completeness [%] | 99.9 | 98.2 | 99.9 |
| Redundancy | 6.9 | 6.5 | 6.6 |
| CC(1/2) | 0.999 | 0.999 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 1.2 M NaMal pH 8.0 |
