1YFF

STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	80.320, 80.320, 179.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.228
Rwork	0.228
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m9p
RMSD bond length	0.012
RMSD bond angle	1.500
Data scaling software	SCALEPACK
Phasing software	MOLREP ((CCP4))
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.072	0.300
Number of reflections	43129
<I/σ(I)>	5.4	2.7
Completeness [%]	97.5	87.2
Redundancy	7.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 4000, SODIUM PHOSPHATE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K