6YC3
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Replaces: 6REWExperimental 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 | 2019-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.866, 240.323, 135.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.1697 |
| Rwork | 0.168 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rew |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.071 |
| 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] | 48.160 | 48.160 | 2.030 |
| High resolution limit [Å] | 2.000 | 10.950 | 2.000 |
| Rmerge | 0.076 | 0.023 | 1.749 |
| Rmeas | 0.082 | 0.025 | 1.876 |
| Rpim | 0.030 | 0.009 | 0.674 |
| Total number of observations | 1101707 | 6427 | 54868 |
| Number of reflections | 144508 | 956 | 7135 |
| <I/σ(I)> | 13.2 | 47.6 | 1.2 |
| Completeness [%] | 99.9 | 97.1 | 100 |
| Redundancy | 7.6 | 6.7 | 7.7 |
| CC(1/2) | 0.999 | 0.999 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 1.2 M NaMal pH 8.0 |
