6RF7
Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 40.598, 82.248, 234.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.27110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.504 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.700 | 40.700 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.107 | 0.023 | 1.537 |
| Rmeas | 0.120 | 0.027 | 1.716 |
| Rpim | 0.053 | 0.013 | 0.750 |
| Total number of observations | 68030 | 1385 | 7857 |
| Number of reflections | 14043 | 341 | 1557 |
| <I/σ(I)> | 9.4 | 33.8 | 0.9 |
| Completeness [%] | 99.6 | 96.6 | 99.9 |
| Redundancy | 4.8 | 4.1 | 5 |
| CC(1/2) | 0.999 | 0.999 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 2.0 M Sodium Malonate, pH 4.3 |
