1SI4

Crystal structure of Human hemoglobin A2 (in R2 state) at 2.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-05-16
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.450, 88.186, 104.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.960 - 2.200
R-factor	0.218
Rwork	0.218
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code: 1SHR
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.200
Rmerge	0.069
Number of reflections	28343
Completeness [%]	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	PEG, Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K