6XYT
Crystal structure of the O-state 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 | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.157, 240.629, 135.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1798 |
| Rwork | 0.179 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6REW |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.052 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.060 | 48.060 | 2.140 |
| High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
| Rmerge | 0.078 | 0.020 | 2.760 |
| Rmeas | 0.081 | 0.021 | 2.863 |
| Rpim | 0.022 | 0.006 | 0.757 |
| Total number of observations | 1708461 | 9012 | 85843 |
| Number of reflections | 123865 | 804 | 6133 |
| <I/σ(I)> | 20.1 | 89.7 | 1.1 |
| Completeness [%] | 99.8 | 96 | 99.9 |
| Redundancy | 13.8 | 11.2 | 14 |
| CC(1/2) | 0.999 | 1.000 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 0.7 M Sodium Malonate pH 8.0 |
