1SHR

Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-26
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.449, 83.990, 62.688
Unit cell angles	90.00, 99.86, 90.00

Refinement procedure

Resolution	14.890 - 1.880
R-factor	0.167
Rwork	0.167
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bbb
RMSD bond length	0.006
RMSD bond angle	1.100
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]	1.880
Rmerge	0.054
Number of reflections	44538
Completeness [%]	98.6

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