6BBI
The CRAC channel Orai in an unlatched-closed conformation; K163W loss-of-function mutation; P42212 crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100000 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 118.697, 118.697, 122.419 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.849 - 4.350 |
R-factor | 0.3083 |
Rwork | 0.306 |
R-free | 0.32890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bbh |
RMSD bond length | 0.006 |
RMSD bond angle | 1.148 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.420 |
High resolution limit [Å] | 4.350 | 4.350 |
Rpim | 0.017 | 0.557 |
Number of reflections | 6174 | 311 |
<I/σ(I)> | 61.1 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16.4 | 16.9 |
CC(1/2) | 0.265 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 26% PEG 400 200 mM Potassium Phosphate pH 6.5 |