5HXS
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 Sr2+
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 | 49.516, 72.353, 96.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.998 - 2.789 |
| R-factor | 0.2285 |
| Rwork | 0.223 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.887 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.789 | 7.590 | 2.800 |
| Rmerge | 0.123 | 0.045 | 0.880 |
| Rmeas | 0.134 | 0.049 | 0.970 |
| Rpim | 0.052 | 0.020 | 0.399 |
| Total number of observations | 57652 | ||
| Number of reflections | 8927 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 98.8 | 98.1 | 90.4 |
| Redundancy | 6.5 | 6 | 5.4 |
| CC(1/2) | 0.999 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | PEG 400 |
