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