4R50
Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 4 |
| Unit cell lengths | 67.570, 67.570, 88.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.810 - 2.850 |
| R-factor | 0.13103 |
| Rwork | 0.125 |
| R-free | 0.18295 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3K0D: chain A without filter and solvent |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.564 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.810 | 33.780 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.148 | |
| Number of reflections | 4692 | |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 83.0 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 40-70% MPD, 20-100mM Glycine, pH 6.5 - 7.5, VAPOR DIFFUSION, HANGING DROP |
