5HWY
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero 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) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.213, 71.966, 95.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.022 - 2.098 |
| R-factor | 0.1908 |
| Rwork | 0.188 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.915 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.098 | 5.700 | 2.100 |
| Rmerge | 0.093 | 0.048 | 0.698 |
| Rmeas | 0.101 | 0.052 | 0.765 |
| Rpim | 0.040 | 0.021 | 0.309 |
| Total number of observations | 117734 | ||
| Number of reflections | 19305 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.9 | 98.6 | 100 |
| Redundancy | 6.1 | 5.7 | 6 |
| CC(1/2) | 0.997 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | PEG 400 |
