3OBZ

Crystal structure of human phytanoyl-COA dioxygenase phyhd1 2-oxoglutarate and iron complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION SUPERNOVA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-25
Detector	OXFORD TITAN CCD
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	92.366, 92.366, 81.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.307 - 2.150
Rwork	0.233
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house SAD structure
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (1.3.2)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.307	28.583	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge	0.067	0.022	0.371
Rmeas		0.026	0.448
Rpim		0.015	0.248
Total number of observations		2138	9862
Number of reflections	22253
<I/σ(I)>	17.8	67.5	2.9
Completeness [%]	99.8	96.8	99.7
Redundancy	3.2	2.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	7%(v/v) PEG 3350, 0.2M calcium acetate and 0.2M KCl Crystals were grown in anaerobic environment and soaked with FeSO4 and 2-oxoglutarate to form complex, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K