6GAS

Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 2 (FNR2) from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-31
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 32 2 1
Unit cell lengths	109.660, 109.660, 242.519
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.600 - 2.400
R-factor	0.2101
Rwork	0.207
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzw
RMSD bond length	0.011
RMSD bond angle	1.256
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.139	1.028
Rmeas	0.145	1.076
Number of reflections	66924	4445
<I/σ(I)>	11.4	2
Completeness [%]	100.0	100
Redundancy	13.1	11.3
CC(1/2)	0.998	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium chloride, 0.02 M Tris pH 7.0, 7.7 % w/v PEG 4000