3NG6

The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-01
Detector	ENRAF-NONIUS
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	61.882, 61.882, 187.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.600 - 2.200
Rwork	0.195
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h8f
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	26.600
High resolution limit [Å]	2.200
Number of reflections	32263

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6	293	protein at 10 mg/ml, in a 100 mM sodium acetate buffer pH 6.0, 2mM dithionite, poured into a capillary containing 20% (w/v) MPEG 5000 (2 mM dithionite), LIQUID DIFFUSION, temperature 293K