8ZXH

Structure of the red fluorescent protein mScarlet3-H at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	84.520, 35.490, 85.660
Unit cell angles	90.00, 109.52, 90.00

Refinement procedure

Resolution	31.760 - 1.460
R-factor	0.1864
Rwork	0.185
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.002
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.13-2998)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.760	1.512
High resolution limit [Å]	1.460	1.460
Rmerge	0.088
Rmeas	0.096
Rpim	0.037
Number of reflections	40680	3998
<I/σ(I)>	12.22
Completeness [%]	96.7	95.01
Redundancy	2
CC(1/2)	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	6%propanol,0,1M NaAcet ph4.5,26%PEG550