4RO2
Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium
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 | 2014-10-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 67.696, 91.045, 67.622 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.520 - 2.700 |
| R-factor | 0.2613 |
| Rwork | 0.248 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k0d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.514 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 47.840 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.096 | |
| Number of reflections | 11995 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 100mM MES pH 6.5, 25mM Glycine, 40-44% MPD, 100mM MACl, VAPOR DIFFUSION, HANGING DROP |
