3TNZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 3
Unit cell lengths	108.986, 108.986, 49.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.537 - 2.250
R-factor	0.1721
Rwork	0.171
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gfd
RMSD bond length	0.014
RMSD bond angle	1.384
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4 (Phaser)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	31135
<I/σ(I)>	12.4	2.1
Completeness [%]	99.7	97.6
Redundancy	8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	15% PEG 10,000, 0.1M citric acid pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K