9EMU

RosC-8-demethyl-8-amino-FMN - Phosphate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	51.850, 51.900, 81.820
Unit cell angles	73.46, 81.72, 70.52

Refinement procedure

Resolution	34.820 - 1.400
R-factor	0.1649
Rwork	0.164
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.400	12.000	1.400
Rmerge	0.053	0.024	0.760
Rmeas	0.063	0.029	0.906
Number of reflections	138597	219	20562
<I/σ(I)>	15.7
Completeness [%]	91.4
Redundancy	3.6
CC(1/2)	0.998	0.998	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.7	293	PEG 1500, TBG, pH 5.5, KH2PO4 pH 7.4