7QR6

Stilbene dioxygenase (NOV1) from Novosphingobium aromaticivorans: Ser283Phe mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999977
Spacegroup name	C 2 2 2
Unit cell lengths	178.471, 187.984, 105.867
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.040 - 2.900
R-factor	0.2178
Rwork	0.214
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j55
RMSD bond length	0.007
RMSD bond angle	1.436
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.121	0.917
Rmeas	0.146	1.121
Rpim	0.079	0.627
Number of reflections	36348	4697
<I/σ(I)>	6.1
Completeness [%]	91.9	97.5
Redundancy	3.5	3.5
CC(1/2)	0.981	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	sitting drop vapour diffusion, 0.16 M MgCl2, 0.08 M Tris/HCl pH 8.5, 18% wt/vol PEG 4000, and 20% vol/vol glycerol