2DN3

1.25A resolution crystal structure of human hemoglobin in the carbonmonoxy form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-06
Detector	MAR CCD 165 mm
Wavelength(s)	0.7000
Spacegroup name	P 41 21 2
Unit cell lengths	53.270, 53.270, 189.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.250
R-factor	0.183
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	0.028
Data reduction software	MOSFLM
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.061	0.533
Number of reflections	76777
<I/σ(I)>	5.8
Completeness [%]	100.0	100
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH	6.7	293	sodium/potassium phosphate, glycerol, pH 6.7, BATCH, temperature 293K