1Y7Z

T-To-T(High) quaternary transitions in human hemoglobin: betaN108A 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	1996-12-30
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.300, 99.300, 65.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.980
Rwork	0.176
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0t
RMSD bond length	0.010
RMSD bond angle	0.024
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	2.130
High resolution limit [Å]	1.980	1.980
Rmerge	0.061	0.190
Number of reflections	43442
<I/σ(I)>	11.3	2.1
Completeness [%]	96.4	84.6
Redundancy	5.6	2.9

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