5KO8

Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and mono-iodotyrosine (I-Tyr)

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 PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 64 2 2
Unit cell lengths	152.718, 152.718, 87.286
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.180 - 2.150
R-factor	0.1926
Rwork	0.191
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gb5
RMSD bond length	0.005
RMSD bond angle	0.842
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]	38.180
High resolution limit [Å]	2.150
Rmerge	0.145
Number of reflections	33077
<I/σ(I)>	16.8
Completeness [%]	99.9
Redundancy	19.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES pH 7.5, 150 mM MgCl2, 25% (w/v) PEG 3350, 2 mM I-Tyr and 15% glycerol