1Y83

T-To-T(High) quaternary transitions in human hemoglobin: betaY145G deoxy low-salt (1 test set)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	177
Detector technology	IMAGE PLATE
Collection date	2001-06-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.200, 99.500, 65.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
Rwork	0.195
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0t
RMSD bond length	0.011
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.200	2.050
High resolution limit [Å]	1.900	1.900
Rmerge	0.034	0.096
Number of reflections	45165
<I/σ(I)>	17.8	6.8
Completeness [%]	88.9	63.7
Redundancy	3.5	2.7

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