4TTC

Crystal structure of homo sapiens IODOTYROSINE DEIODINASE bound to FMN and mono-iodotyrosine (MIT)

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	2011-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 61
Unit cell lengths	104.747, 104.747, 303.338
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.858 - 2.650
R-factor	0.1725
Rwork	0.170
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000202202
RMSD bond length	0.008
RMSD bond angle	1.280
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge		0.554
Number of reflections	54565
<I/σ(I)>	27.1	4.9
Completeness [%]	100.0	100
Redundancy	9.6	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.15 M sodium acetate, 85 mM Tris-HCl, 25.5 % w/v polyethylene glycol 4,000 and 15 % glycerol