5HWX
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 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 | 2014-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.702, 72.278, 95.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.923 - 2.400 |
| R-factor | 0.2142 |
| Rwork | 0.210 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v5u |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.819 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.094 | 0.032 | |
| Rmeas | 0.098 | 0.035 | |
| Rpim | 0.040 | 0.014 | 0.441 |
| Total number of observations | 97377 | ||
| Number of reflections | 14024 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 99.8 | 99 | 99.1 |
| Redundancy | 6.9 | 6.3 | 6.7 |
| CC(1/2) | 0.999 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | PEG400 |
