6FIZ
Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.95389 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.220, 135.250, 67.430 |
| Unit cell angles | 90.00, 91.95, 90.00 |
Refinement procedure
| Resolution | 67.620 - 2.630 |
| R-factor | 0.23708 |
| Rwork | 0.235 |
| R-free | 0.26934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k0d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.319 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.620 | 2.680 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.190 | 0.970 |
| Number of reflections | 44752 | 2175 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 92.8 | 91 |
| Redundancy | 3.6 | 2.6 |
| CC(1/2) | 0.987 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 40-44% MPD 100 mM MES pH 6.5 25mM Glycine |
