9JX2

Structure of rsCherry exposed to oxygen for 8 days

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	I 1 2 1
Unit cell lengths	61.189, 42.765, 108.226
Unit cell angles	90.00, 105.90, 90.00

Refinement procedure

Resolution	39.560 - 2.000
R-factor	0.1772
Rwork	0.175
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8b65
RMSD bond length	0.005
RMSD bond angle	0.939
Data reduction software	XDS
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]	39.560	39.560	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.098	0.035	0.672
Rmeas	0.109	0.038	0.743
Rpim	0.046	0.016	0.313
Number of reflections	18465	231	1364
<I/σ(I)>	10.9	34.2	2.3
Completeness [%]	100.0	98.8	100
Redundancy	5.6		5.6
CC(1/2)	0.998	0.998	0.825

Crystallization Conditions

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