5KRD

Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and 2-iodophenol (2IP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97950
Spacegroup name	P 64 2 2
Unit cell lengths	155.049, 155.049, 89.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.994 - 2.103
R-factor	0.179
Rwork	0.177
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gb5
RMSD bond length	0.014
RMSD bond angle	1.386
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.107
Number of reflections	36524
<I/σ(I)>	10.7
Completeness [%]	98.8
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	100 mM Tris-HCl pH 9, 200 mM MgCl2, 2 mM 2-iodophenol, 17% (w/v) PEG 8000, 17% glycerol and 10% (v/v) ethylene glycol