4RAI
Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-26 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | I 4 |
| Unit cell lengths | 67.650, 67.650, 86.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.350 - 2.310 |
| R-factor | 0.148 |
| Rwork | 0.144 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k0d |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.771 |
| 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] | 53.350 | 53.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.096 | |
| Number of reflections | 8580 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 99.3 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM NaCl, VAPOR DIFFUSION, HANGING DROP |
