1Y5J

T-To-T(High) quaternary transitions in human hemoglobin: betaH97A 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	1994-11-08
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.100, 98.600, 65.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.030
Rwork	0.181
R-free	0.24500
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	2.180
High resolution limit [Å]	2.030	2.030
Rmerge	0.101	0.287
Number of reflections	40403
<I/σ(I)>	7.9	1.9
Completeness [%]	97.1	85.9
Redundancy	11.6	5.2

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