1Y4F

T-To-T(High) quaternary transitions in human hemoglobin: betaW37A deoxy low-salt (10 test sets)

Replaces:  1A0W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-10-20
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	96.800, 99.200, 66.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.18406
Rwork	0.181
R-free	0.21554
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0w
RMSD bond length	0.016
RMSD bond angle	1.592
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	REFMAC (5.0.)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	1.990	1.990
Rmerge	0.065	0.232
Number of reflections	43934
<I/σ(I)>	9.8	1.8
Completeness [%]	97.1	86.9
Redundancy	6.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	7	298	10% PEG 6000, 10 mM potassium phosphate, 100 mM potassium chloride, 3 mM sodium dithionite, 10 mg/ml Hb, pH 7.0, batch, temperature 298K