6GAR

Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	57.166, 164.330, 95.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.983 - 2.400
R-factor	0.1884
Rwork	0.186
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzx
RMSD bond length	0.008
RMSD bond angle	1.005
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]	54.780	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.130	0.632
Rmeas	0.148	0.748
Number of reflections	35326	3361
<I/σ(I)>	8.1	1.8
Completeness [%]	98.5	90.6
Redundancy	4.2	3.2
CC(1/2)	0.993	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate, 20 mM sodium potassium tartrate, 20 mM sodium oxamate, 50 mM HEPES, 50 mM MOPS pH 7.5, 12.5%(v/v) MPD, 12.5%(w/v) PEG 1K, 12.5%(w/v) PEG 3350