6REX
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 6.0
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 PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.432, 240.787, 135.737 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.260 - 2.700 |
| R-factor | 0.2242 |
| Rwork | 0.223 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.560 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.210 | 48.210 | 2.770 |
| High resolution limit [Å] | 2.700 | 11.770 | 2.700 |
| Rmerge | 0.190 | 0.048 | 1.308 |
| Rmeas | 0.212 | 0.055 | 1.458 |
| Rpim | 0.091 | 0.025 | 0.627 |
| Total number of observations | 273147 | 3327 | 21159 |
| Number of reflections | 57277 | 721 | 4469 |
| <I/σ(I)> | 7.9 | 21.9 | 1.1 |
| Completeness [%] | 96.9 | 91.2 | 98.6 |
| Redundancy | 4.8 | 4.6 | 4.7 |
| CC(1/2) | 0.991 | 0.999 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 3.4 M Sodium Malonate pH 6.0 |
