5HXH
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with zero Na+ and 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 | 2014-11-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 2.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.177, 46.827, 96.963 |
| Unit cell angles | 90.00, 106.20, 90.00 |
Refinement procedure
| Resolution | 34.962 - 2.804 |
| R-factor | 0.2093 |
| Rwork | 0.203 |
| R-free | 0.26380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.705 |
| 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] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.105 | 0.044 | |
| Rmeas | 0.110 | 0.048 | |
| Rpim | 0.045 | 0.018 | 0.558 |
| Total number of observations | 124985 | ||
| Number of reflections | 21489 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.9 | 98.6 | 99.9 |
| Redundancy | 7.1 | 6.9 | 5.7 |
| CC(1/2) | 0.998 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | PEG 400 |
