8B7G

Structure of oxygen-degraded rsCherry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	61.213, 43.177, 108.529
Unit cell angles	90.00, 106.06, 90.00

Refinement procedure

Resolution	46.070 - 1.300
R-factor	0.126
Rwork	0.125
R-free	0.14610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.070	46.070	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.036	0.016	0.616
Rmeas	0.041	0.018	0.697
Rpim	0.018	0.008	0.319
Total number of observations	308117	1926	14441
Number of reflections	66652	444	3210
<I/σ(I)>	15	49.2	1.8
Completeness [%]	99.2	99.1	98.1
Redundancy	4.6	4.3	4.5
CC(1/2)	1.000	1.000	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294.15	0.1M MES pH 6.5, 25% PEG 8000