6YC4
Crystal structure of the steady-state activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, 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] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-10-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 135.189, 239.861, 138.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xyt |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.077 |
| 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] | 48.810 | 48.810 | 2.650 |
| High resolution limit [Å] | 2.590 | 12.440 | 2.590 |
| Rmerge | 0.237 | 0.082 | 2.131 |
| Rmeas | 0.252 | 0.089 | 2.270 |
| Rpim | 0.086 | 0.034 | 0.771 |
| Total number of observations | 590846 | 4417 | 36699 |
| Number of reflections | 69594 | 673 | 4259 |
| <I/σ(I)> | 6.7 | 16.6 | 1.1 |
| Completeness [%] | 99.6 | 95.5 | 94.8 |
| Redundancy | 8.5 | 6.6 | 8.6 |
| CC(1/2) | 0.994 | 0.987 | 0.507 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 1.2 M NaMal pH 8.0 |
