1R1Y

Crystal structure of deoxy-human hemoglobin Bassett at 1.8 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-09-27
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.471, 82.246, 53.561
Unit cell angles	90.00, 100.21, 90.00

Refinement procedure

Resolution	49.240 - 1.800
R-factor	0.183
Rwork	0.183
R-free	0.23600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1g9v
RMSD bond length	0.013
RMSD bond angle	19.100 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.250	1.850
High resolution limit [Å]	1.850	1.800
Rmerge	0.073	0.366
Number of reflections	47432
<I/σ(I)>	33.7	1.57
Completeness [%]	93.9	77.5
Redundancy	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	298	Perutz, M.F., (1968) J. Crystal Growth, 2, 54. *