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 |