4IRO

Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	61.538, 104.802, 61.616
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	72.165 - 2.200
R-factor	0.22
Rwork	0.219
Structure solution method	FOURIER SYNTHESIS
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	72.165
High resolution limit [Å]	2.200
Number of reflections	34835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	deoxy-HbTb crystals have been grown using 8-9.5 mg/ml protein mixed with equal amount of 7-12 % w/v PEG 6000, PBS 100 mM, KCl 0.3 M, pH 8.4. Deoxy HbTb crystals were then soaked for several hours in a deoxygenated, CO saturated, stabilizing solution containing 30% w/v PEG 6000, 100 mM Trsi-HCl pH 8.4, 200 mM KCl, 5 mM dithionite reducing agent and flushed with gaseous CO before data collection, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K