4HKS
Calcium release-activated calcium (CRAC) channel ORAI, K163W mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 3 |
Unit cell lengths | 118.309, 118.309, 118.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.352 |
R-factor | 0.2786 |
Rwork | 0.279 |
R-free | 0.28250 |
Structure solution method | MIRAS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.466 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | PHENIX ((1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.410 |
High resolution limit [Å] | 3.350 | 3.350 |
Number of reflections | 8157 | |
<I/σ(I)> | 35.3 | 1.3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 24.3 | 23.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 26 % PEG 400, 1 M Ammonium Formate, 100 mM MES pH 6.5, 2 mM Calcium chloride. The crystal was soaked in: 50 % PEG 400, 1 M Ammonium Formate, 100 mM MES pH 6.5, 50 mM Calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 290K |