3TO0

Crystal structure of Mus musculus iodotyrosine deiodinase (IYD) C217A, C239A bound to FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-10
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 31
Unit cell lengths	87.270, 87.270, 62.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.880 - 2.655
R-factor	0.185
Rwork	0.182
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gb5
RMSD bond length	0.015
RMSD bond angle	1.639
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	CCP4 (Phaser)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.880	2.750
High resolution limit [Å]	2.655	2.656
Number of reflections	15404
<I/σ(I)>	73	0.81
Completeness [%]	99.7	80.14
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M ammonium acetate 0.1M Bis-Tris pH 6.0, 45% v/v 2-methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 293K