3C4A

Crystal structure of vioD hydroxylase in complex with FAD from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR158

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.97900
Spacegroup name	P 21 21 2
Unit cell lengths	89.179, 97.725, 40.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.880 - 2.300
R-factor	0.202
Rwork	0.202
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.105	0.473
Number of reflections	30479
<I/σ(I)>	20.58	3.32
Completeness [%]	99.9	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Protein solution: 10 mM Tris-HCl, 100 mM NaCl, 3 mM FAD, 5 mM DTT. Reservoir solution: 100 mM Bis-Tris pH 6.5, 25% PEG 3350, 200 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 291K