7F76

Crystal Structure of FMN-dependent NADPH-quinone reductase (azoR) from Bacillus cohnii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	50.849, 77.552, 95.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 1.570
R-factor	0.1666
Rwork	0.165
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gfr
RMSD bond length	0.013
RMSD bond angle	1.689
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.570	1.570
Rmerge	0.052	0.741
Rmeas	0.055	0.821
Rpim	0.018	0.343
Number of reflections	45768	1882
<I/σ(I)>	28	2.2
Completeness [%]	98.1	86.1
Redundancy	9.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	35% 2-propanol, 0.1 M Tris/HCl (pH 8.5)