1Y4G

T-To-T(High) quaternary transitions in human hemoglobin: betaW37G deoxy low-salt (10 test sets)

Replaces:  1A0X

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-07-29
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	96.400, 99.200, 66.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.910
R-factor	0.20276
Rwork	0.199
R-free	0.23524
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0w
RMSD bond length	0.017
RMSD bond angle	1.687
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	2.070
High resolution limit [Å]	1.910	1.910
Rmerge	0.086	0.295
Number of reflections	44737
<I/σ(I)>	10.2	1.4
Completeness [%]	91.7	75.7
Redundancy	6	3.2

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