7ZCT

Structure of the red fluorescent protein mScarlet3 at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	59.231, 61.862, 110.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.780 - 1.330
R-factor	0.2004
Rwork	0.200
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lk4
RMSD bond length	0.011
RMSD bond angle	1.817
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.780	1.380
High resolution limit [Å]	1.330	1.330
Number of reflections	91873	9289
<I/σ(I)>	6	0.7
Completeness [%]	97.5	99.1
Redundancy	3.8
CC(1/2)	0.994	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M sodium chloride, 0.1 M, 0.1 M HEPES pH 7.5, 1.6 M Ammonium sulfate