6RF1
Crystal structure of the light-driven sodium pump KR2 in the pentameric "wet" form
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 | 2017-10-03 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 130.628, 240.474, 135.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 2.800 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4XTN chain D |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.600 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.130 | 48.130 | 2.890 |
| High resolution limit [Å] | 2.800 | 11.540 | 2.800 |
| Rmerge | 0.141 | 0.036 | 1.290 |
| Rmeas | 0.160 | 0.041 | 1.448 |
| Rpim | 0.072 | 0.019 | 0.645 |
| Total number of observations | 236235 | 3128 | 21178 |
| Number of reflections | 52539 | 810 | 4497 |
| <I/σ(I)> | 5.6 | 15.6 | 1.2 |
| Completeness [%] | 99.6 | 97.3 | 99.4 |
| Redundancy | 4.5 | 3.9 | 4.7 |
| CC(1/2) | 0.997 | 0.998 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 3.4 M Sodium Malonate pH 8.0 |
