6YC1
Crystal structure of the H30A 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 ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.089, 239.733, 135.132 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rew |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.048 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.010 | 48.010 | 2.240 |
| High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
| Rmerge | 0.122 | 0.026 | 2.099 |
| Rmeas | 0.132 | 0.029 | 2.259 |
| Rpim | 0.049 | 0.012 | 0.827 |
| Total number of observations | 758221 | 4259 | 38766 |
| Number of reflections | 106450 | 717 | 5261 |
| <I/σ(I)> | 11.5 | 46.4 | 0.9 |
| Completeness [%] | 98.9 | 97.1 | 99.2 |
| Redundancy | 7.1 | 5.9 | 7.4 |
| CC(1/2) | 0.999 | 0.999 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 1.2 M NaMal pH 8.0 |
