3V5S
Structure of Sodium/Calcium Exchanger from Methanococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0063 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 84.990, 84.990, 181.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.203 - 3.500 |
| R-factor | 0.2823 |
| Rwork | 0.281 |
| R-free | 0.30270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.270 | 3.660 |
| High resolution limit [Å] | 3.600 | 4.160 | 3.600 |
| Number of reflections | 8811 | ||
| Completeness [%] | 100 | 96.4 | |
| Redundancy | 13 | 14.3 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 40% PEG200, 0.1M Tris.HCl, pH 7.0, and 0.01M CdCl2 or 0.01M MnCl2., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
