9H25

Structure of rsCherry exposed to oxygen for 16 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 X 16M
Wavelength(s)	0.9763
Spacegroup name	I 1 2 1
Unit cell lengths	61.391, 43.452, 108.818
Unit cell angles	90.00, 106.00, 90.00

Refinement procedure

Resolution	46.230 - 1.900
R-factor	0.1576
Rwork	0.156
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.672
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]	46.230	46.230	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.100	0.077	0.265
Rmeas	0.109	0.085	0.296
Rpim	0.044	0.036	0.129
Total number of observations	131845
Number of reflections	21952	222	1363
<I/σ(I)>	10	16.2
Completeness [%]	99.8	99	98.8
Redundancy	6	5.5	5
CC(1/2)	0.995	0.994	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	294	PEG 8000 16%, 0.1M MES pH 6.0