5HXR
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.700, 72.522, 96.942 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.302 - 2.463 |
| R-factor | 0.2244 |
| Rwork | 0.221 |
| R-free | 0.26040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.630 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.118 | 0.051 | |
| Rmeas | 0.126 | 0.056 | |
| Rpim | 0.055 | 0.021 | 0.780 |
| Total number of observations | 101923 | ||
| Number of reflections | 13042 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 99.7 | 98.4 | 100 |
| Redundancy | 7.8 | 7 | 7.8 |
| CC(1/2) | 0.998 | 0.611 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | PEG 400 |
