6REZ
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 5.0
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 EIGER X 4M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 130.241, 241.392, 135.109 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.130 - 2.600 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4XTN chain D |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.542 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.080 | 48.080 | 2.660 |
| High resolution limit [Å] | 2.600 | 11.910 | 2.600 |
| Rmerge | 0.087 | 0.031 | 1.746 |
| Rmeas | 0.096 | 0.035 | 1.924 |
| Rpim | 0.041 | 0.015 | 0.794 |
| Total number of observations | 356146 | 3363 | 25827 |
| Number of reflections | 64789 | 712 | 4559 |
| <I/σ(I)> | 9.7 | 31.5 | 0.9 |
| Completeness [%] | 98.9 | 94.2 | 99.8 |
| Redundancy | 5.5 | 4.7 | 5.7 |
| CC(1/2) | 0.999 | 0.999 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 3.4 M Sodium Malonate pH 8.0 |
