6RF5
Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 6.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 40.334, 81.246, 233.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.2047 |
| Rwork | 0.202 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.584 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.620 | 40.620 | 2.390 |
| High resolution limit [Å] | 2.300 | 8.610 | 2.300 |
| Rmerge | 0.105 | 0.034 | 1.058 |
| Rmeas | 0.116 | 0.039 | 1.177 |
| Rpim | 0.049 | 0.020 | 0.506 |
| Total number of observations | 95262 | 1751 | 9542 |
| Number of reflections | 17576 | 393 | 1841 |
| <I/σ(I)> | 10.4 | 32.2 | 1.5 |
| Completeness [%] | 99.7 | 98.2 | 99.5 |
| Redundancy | 5.4 | 4.5 | 5.2 |
| CC(1/2) | 0.997 | 0.997 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 2.0 M Sodium Malonate pH 4.3 |
