8IZ2

Single excitation and two emissions pH sensor protein (SITE-pHorin)_C203E_pH8.0

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	54.024, 62.896, 67.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.236 - 1.572
Rwork	0.160
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.797
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.083	0.350
Rpim	0.024	0.108
Number of reflections	32699	1645
<I/σ(I)>	38	5.78
Completeness [%]	99.4	87.9
Redundancy	12.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEG 8000, MgCl2, Tris-HCl