8SM8

Air-oxidized A. ca TruffO expressed from M9 minimal medium supplemented with Fe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.74
Spacegroup name	P 1 21 1
Unit cell lengths	63.930, 154.820, 74.950
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	77.410 - 2.000
R-factor	0.1937
Rwork	0.192
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.030
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]	77.410	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	87656	35285
<I/σ(I)>	6.7
Completeness [%]	91.3
Redundancy	9.1
CC(1/2)	0.881	0.164

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	4.2M 1,6-Hexanediol, 0.1M BISTRIS, 0.015M MgSO4, 2% glycerol