4TTB

Crystal structure of homo sapiens 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	2011-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 31
Unit cell lengths	72.892, 72.892, 95.515
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.086 - 2.447
R-factor	0.1932
Rwork	0.193
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3to0
RMSD bond length	0.008
RMSD bond angle	1.142
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.447	2.447
Rmerge		0.613
Number of reflections	20957
<I/σ(I)>	33.8	2.9
Completeness [%]	100.0	100
Redundancy	8.2	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.05 M ammonium sulfate, 25% Pentaerythritol ethoxylate, 50 mM BISTRIS