8SM9

Air-oxidized C. fi TruffO expressed from M9 minimal medium supplemented with Fe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.74
Spacegroup name	P 1 21 1
Unit cell lengths	112.818, 67.880, 138.508
Unit cell angles	90.00, 111.74, 90.00

Refinement procedure

Resolution	60.040 - 2.300
R-factor	0.2041
Rwork	0.203
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.066
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.040	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	82002	7943
<I/σ(I)>	3.28
Completeness [%]	94.0
Redundancy	6.1
CC(1/2)	0.958	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	0.07M Ammonium acetate, 5.6% PEG 4000, 20% glycerol