1JY7

THE STRUCTURE OF HUMAN METHEMOGLOBIN. THE VARIATION OF A THEME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	231.500, 57.900, 143.400
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	10.000 - 3.200
R-factor	0.204
Rwork	0.204
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HUMAN OXYHEMOGLOBIN
RMSD bond length	0.014
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.108	0.379
Number of reflections	84268
Completeness [%]	92.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.7	293	PEG 4000, Sodium potassium phosphate, pH 6.7, LIQUID DIFFUSION at 293K