3ONZ

Human tetrameric hemoglobin: proximal nitrite ligand at beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-11
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.270, 53.270, 193.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.635 - 2.087
R-factor	0.2212
Rwork	0.218
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ljw
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.200
High resolution limit [Å]	2.090	2.090
Rmerge		0.405
Number of reflections	16567
<I/σ(I)>		4.6
Completeness [%]	95.5	90.7
Redundancy	9.4	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.1	295	sodium phospahte, potassium phosphate, toluene, nitrite, hemoglobin, pH 7.1, LIQUID DIFFUSION, temperature 295K