8GQR

Crystal structure of VioD with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	50.603, 100.869, 162.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 2.100
Rwork	0.190
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4a
RMSD bond length	0.008
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (v1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.770	2.160
High resolution limit [Å]	2.100	2.100
Rpim	0.130	0.677
Number of reflections	49417	3951
<I/σ(I)>	6.2
Completeness [%]	99.7
Redundancy	7.3
CC(1/2)	0.982	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	PEG 3350