6WTA

Structure of F420-H2 Dependent Oxidoreductase (FDOR-A) MSMEG_2027 in complex with F420

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953729987144
Spacegroup name	P 21 21 21
Unit cell lengths	35.364, 63.022, 65.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.680 - 1.670
R-factor	0.2022
Rwork	0.200
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y9i
RMSD bond length	0.004
RMSD bond angle	0.683
Data reduction software	XDS (20200131)
Data scaling software	Aimless (1.11.21)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.17.1_3660))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.680	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.173	1.556
Rmeas	0.183
Rpim	0.078	0.511
Number of reflections	17596	886
<I/σ(I)>	11.8	1.9
Completeness [%]	99.8	99.9
Redundancy	10.6	10.1
CC(1/2)	0.996	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.4	291.15	0.07 M citrate, 0.03 M bis-tris propane, 16% PEG 3350