1R1X

Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-19
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.357, 53.357, 191.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.410 - 2.150
R-factor	0.222
Rwork	0.222
R-free	0.28100 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ljw
RMSD bond length	0.009
RMSD bond angle	18.500 *
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]	95.740	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.075	0.312
Number of reflections	14996
<I/σ(I)>	15	2.1
Completeness [%]	93.8	72.4
Redundancy	5.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.7	298	Perutz, M.F., (1968) J. Crystal Growth, 2, 54. *