5T5N

Calcium-activated chloride channel bestrophin-1 (BEST1), triple mutant: I76A, F80A, F84A; in complex with an Fab antibody fragment, chloride, and calcium

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]	100
Detector technology	PIXEL
Collection date	2014-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	98.243, 243.878, 172.052
Unit cell angles	90.00, 93.84, 90.00

Refinement procedure

Resolution	37.952 - 3.100
Rwork	0.218
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4RDQ
Phasing software	HKL-3000
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	145877
<I/σ(I)>	9.7	1.2
Completeness [%]	99.9	99.9
Redundancy	9.5	9.7
CC(1/2)		0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	6% Peg 4000 50 mM sodium acetate pH 4.0 20% glycerol 75 mM NaCl 75 mM KCl 10 mM Tris-HCl pH 7.5 0.5 mM Cymal-6-NG (Anatrace)