1DKE

NI BETA HEME HUMAN HEMOGLOBIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	55.720, 81.400, 63.150
Unit cell angles	90.00, 97.81, 90.00

Refinement procedure

Resolution	12.000 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.28000
RMSD bond length	0.018
RMSD bond angle	0.039
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.500	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.159
Number of reflections	32068
<I/σ(I)>	9.7
Completeness [%]	98.0	95.7
Redundancy	3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	294	24 MG/ML PROTEIN 21% PEG 1000 10MM POTASSIUM PHOSPHATE, 1MM IHP, 30MM SODIUM DITHIONITE, pH 7, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	24 (mg/ml)
2	1	1	PEG1000	21 (%(w/v))
3	1	1	potassium phosphate	10 (mM)
4	1	1	IHP	1 (mM)
5	1	1	sodium dithionite	30 (mM)