8B65

Structure of rsCherry crystallized in anaerobic conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	I 1 2 1
Unit cell lengths	61.170, 42.899, 108.566
Unit cell angles	90.00, 105.76, 90.00

Refinement procedure

Resolution	46.200 - 1.550
R-factor	0.1525
Rwork	0.151
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5q
Data reduction software	XDS (0.85)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.200	46.200	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.060	0.030	0.687
Rmeas	0.065	0.033	0.742
Rpim	0.025	0.013	0.277
Total number of observations	267195	1553	13501
Number of reflections	39472	263	1944
<I/σ(I)>	16.8	46.5	2.6
Completeness [%]	99.6	98.9	99
Redundancy	6.8	5.9	6.9
CC(1/2)	0.999	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	294.15	18% PEG 8000 and 0.1M MES pH 6