9GYU

Ferredoxin CNF-labelled reduced state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	28.916, 46.761, 63.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.690 - 1.100
R-factor	0.163
Rwork	0.162
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.240	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.098	1.600
Rpim	0.022	0.490
Number of reflections	61312	2288
<I/σ(I)>	15.2	1.5
Completeness [%]	93.9	78.4
Redundancy	19	11.2
CC(1/2)	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Na K Phosphate pH 7-8 2.6-3.6 M Ammonium Sulphate