8P2A

Crystal structure of SaFMN3 domain 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9655
Spacegroup name	P 65 2 2
Unit cell lengths	25.954, 25.954, 364.838
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.420 - 2.000
R-factor	0.23395
Rwork	0.231
R-free	0.29763
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.510
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.140	0.452
Rmeas	0.146	0.473
Rpim	0.039	0.137
Total number of observations	78876	4505
Number of reflections	5999	408
<I/σ(I)>	9	2.4
Completeness [%]	100.0
Redundancy	13.1	11
CC(1/2)	0.996	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	38 - 42 % PEG3350, 0.05 M bis-tris