6RF6
Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 40.411, 82.319, 233.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.144 |
| Rwork | 0.142 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.767 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.600 | 40.600 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.039 | 0.027 | 0.428 |
| Rmeas | 0.044 | 0.031 | 0.474 |
| Rpim | 0.019 | 0.014 | 0.201 |
| Total number of observations | 190887 | 1538 | 11721 |
| Number of reflections | 36723 | 347 | 2179 |
| <I/σ(I)> | 19.1 | 43.3 | 3.3 |
| Completeness [%] | 99.9 | 97.9 | 99.9 |
| Redundancy | 5.2 | 4.4 | 5.4 |
| CC(1/2) | 0.999 | 0.999 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 2.0 M Sodium Malonate, pH 4.3 |
