1Y4P

T-To-T(high) quaternary transitions in human hemoglobin: betaW37E deoxy low-salt (10 test sets)

Replaces:  1A0Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-08-25
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	96.700, 99.100, 66.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.980
R-factor	0.1958
Rwork	0.192
R-free	0.23132
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0w
RMSD bond length	0.018
RMSD bond angle	1.738
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]	50.000	2.140
High resolution limit [Å]	1.980	1.980
Rmerge	0.079	0.276
Number of reflections	43340
<I/σ(I)>	8.5	1.4
Completeness [%]	96.7	84.2
Redundancy	6.2	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