5LK4

Structure of the Red Fluorescent Protein mScarlet at pH 7.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	84.200, 35.640, 86.010
Unit cell angles	90.00, 109.69, 90.00

Refinement procedure

Resolution	80.980 - 1.470
R-factor	0.1382
Rwork	0.137
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3KCS
RMSD bond length	0.009
RMSD bond angle	1.643
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.000		1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.065	0.039	0.541
Number of reflections	40759
<I/σ(I)>	10.99	31.86	2.04
Completeness [%]	98.6	96.4	98.1
Redundancy	3.3
CC(1/2)	0.998	0.997	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	35-45% PEG 300, 100mM Sodium Phosphate Citrate