1FSX

THE X-RAY STRUCTURE DETERMINATION OF BOVINE CARBONMONOXY HB AT 2.1 A RESOLUTION AND ITS RELATIONSHIP TO THE QUATERNARY STRUCTURE OF OTHER HB CRYSTAL FORMS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1993-04-20
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	79.410, 110.630, 65.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.500 - 2.100
R-factor	0.205 *
Rwork	0.205
R-free	0.25400
RMSD bond length	0.013
RMSD bond angle	1.730
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.500	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.103	0.420
Total number of observations	122102 *
Number of reflections	32949
<I/σ(I)>	5.7
Completeness [%]	96.2	92.7
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.3	298	Potassium phosphate, sodium phosphate, pyridine, benzene, pH 7.3, LIQUID DIFFUSION, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	3 (%)
2	1	1	phosphate	3.6 (M)