6EFV

The NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation that is unique to this diflavin reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	60.483, 99.739, 103.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.947 - 2.341
R-factor	0.1717
Rwork	0.167
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddg
RMSD bond length	0.007
RMSD bond angle	0.867
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.947	2.380
High resolution limit [Å]	2.341	2.341
Rmeas	0.092	0.259
Rpim	0.034	0.102
Number of reflections	27036	1320
<I/σ(I)>	10.2	8.2
Completeness [%]	99.9	100
Redundancy	7.3	6.4
CC(1/2)	0.997	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	298	1.8 M Ammonium Sulfate, 100 mM Lithium Sulfate, 100 mM CAPS pH 10.5.