8IZ1

Single excitation and two emissions pH sensor protein (SITE-pHorin)_C203E_pH5.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	51.454, 61.759, 69.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.850 - 1.660
R-factor	0.17508
Rwork	0.173
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.863
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP (11.6.04)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.057	0.809
Rpim	0.017	0.242
Number of reflections	26832	1346
<I/σ(I)>	34.2	1.89
Completeness [%]	99.9	99.6
Redundancy	12.7	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	20% PEG 6000, 100 mm MgCl2, 100 mm Citrate Acid pH 5.0