1Y22

T-To-T(High) quaternary transitions in human hemoglobin: betaV33A deoxy low-salt (1 test set)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-05-03
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.300, 99.100, 66.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.160
Rwork	0.178
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0t
RMSD bond length	0.010
RMSD bond angle	0.025
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.160	2.160
Rmerge	0.080	0.218
Number of reflections	33899
<I/σ(I)>	10.3	2.3
Completeness [%]	97.4	87.6
Redundancy	6.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	10% PEG 6000, 10 mM POTASSIUM PHOSPHATE, 100 mM POTASSIUM CHLORIDE, 3 mM SODIUM DITHIONITE, 10 mg/ml Hb, pH 7.00, temperature 298K