9H26

Structure of rsCherry exposed to oxygen for 69 days

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	I 1 2 1
Unit cell lengths	61.386, 42.952, 108.655
Unit cell angles	90.00, 105.95, 90.00

Refinement procedure

Resolution	52.240 - 1.650
R-factor	0.152
Rwork	0.150
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.709
Data reduction software	DIALS (2.1.3)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.240	52.240	1.680
High resolution limit [Å]	1.650	8.890	1.650
Rmerge	0.037	0.026	0.179
Rmeas	0.041	0.028	0.197
Rpim	0.016	0.011	0.080
Total number of observations	213919
Number of reflections	33009	237	1650
<I/σ(I)>	25.8	50.6
Completeness [%]	100.0	99.3
Redundancy	6.5	6.2	5.8
CC(1/2)	0.999	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	PEG 8000 15%, 0.1M MES pH 6.0