8IZ3

Single excitation and two emissions pH sensor protein(SITE-pHorin)_pH5.5

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	2018-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.925, 62.280, 70.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.140 - 2.180
R-factor	0.1777
Rwork	0.170
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.368
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP (11.6.04)
Refinement software	PHENIX ((1.18.1_3865: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.140	2.261
High resolution limit [Å]	2.180	2.183
Rmerge	0.243	1.666
Rpim	0.086	0.591
Number of reflections	12031	1076
<I/σ(I)>	10.67	1.67
Completeness [%]	99.1	91.26
Redundancy	11.8	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1M Bis-tris pH5.5, 25%(w/v) PEG3350