5KO7

Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127
Spacegroup name	P 21 21 2
Unit cell lengths	92.185, 110.881, 43.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.443 - 2.248
R-factor	0.2176
Rwork	0.216
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gb5
RMSD bond length	0.003
RMSD bond angle	0.707
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]	36.960
High resolution limit [Å]	2.248
Rmerge	0.070
Number of reflections	21635
<I/σ(I)>	15.2
Completeness [%]	98.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	80 mM Tris-HCl pH 8.5, 100 mM MgCl2, 24% (w/v) PEG 4000 and 20% glycerol