5N2I

F420:NADPH oxidoreductase from Thermobifida fusca with NADP+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9726
Spacegroup name	P 21 21 21
Unit cell lengths	82.389, 86.089, 136.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.860 - 1.800
R-factor	0.16703
Rwork	0.165
R-free	0.21364
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jax
RMSD bond length	0.019
RMSD bond angle	2.016
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.870	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.112	0.991
Number of reflections	89383
<I/σ(I)>	7.9	0.9
Completeness [%]	98.6	90.2
Redundancy	4.5	2.8
CC(1/2)	0.994	0.247

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3000, PEG400, glycerol, HEPES pH 7.5