1XYE

T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-11-11
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.000, 99.300, 66.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.130
R-factor	0.19655
Rwork	0.192
R-free	0.24126
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rq3
RMSD bond length	0.021
RMSD bond angle	1.967
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]		2.290
High resolution limit [Å]	2.130	2.130
Rmerge	0.059	0.185
Number of reflections	36379
<I/σ(I)>	5.4	1.3
Completeness [%]	97.9	90.2
Redundancy	6.7	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