9H27

Structure of rsCherry exposed to oxygen for 90 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	61.227, 43.164, 108.112
Unit cell angles	90.00, 106.08, 90.00

Refinement procedure

Resolution	39.860 - 1.700
R-factor	0.1574
Rwork	0.156
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.106
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]	39.860	39.860	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.063	0.039	0.564
Rmeas	0.069	0.042	0.612
Rpim	0.027	0.016	0.235
Total number of observations	194796
Number of reflections	30118	226	1598
<I/σ(I)>	14.9	35.1
Completeness [%]	100.0	98.7
Redundancy	6.5	6.2	6.6
CC(1/2)	0.999	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	PEG 8000 17%, 0.1M MES pH 6.0