6YBY
Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.6
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) | 0.978 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 40.887, 83.601, 233.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.830 - 1.800 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.068 |
| 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] | 40.810 | 40.810 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.046 | 0.032 | 1.000 |
| Rmeas | 0.050 | 0.036 | 1.081 |
| Rpim | 0.020 | 0.017 | 0.406 |
| Total number of observations | 249134 | 1696 | 15382 |
| Number of reflections | 37771 | 345 | 2191 |
| <I/σ(I)> | 16.2 | 39.9 | 1.7 |
| Completeness [%] | 99.8 | 95.4 | 99.7 |
| Redundancy | 6.6 | 4.9 | 7 |
| CC(1/2) | 0.999 | 0.995 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 4.6 | 293 | 2 M NaMal pH 4.6 |
