6PYX

Calcium Activated Chloride Channel Regulator 1 (CLCA1) VWA Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-10-10
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	103.383, 74.452, 75.386
Unit cell angles	90.00, 109.37, 90.00

Refinement procedure

Resolution	50.790 - 2.600
R-factor	0.2211
Rwork	0.218
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rck
RMSD bond length	0.008
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.180	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.266	1.734
Rmeas	0.313	2.079
Rpim	0.163	1.136
Number of reflections	16687	2017
<I/σ(I)>	4.6
Completeness [%]	99.6	98.1
Redundancy	3.6	3.3
CC(1/2)	0.977	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.2 M HEPES pH 7.5, 0.1 M CaCl2, 28% PEG 400