6HBW

Crystal structure of deoxy-human hemoglobin beta6 glu->trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-03-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	62.950, 81.280, 111.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.198
Rwork	0.198
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hhb
RMSD bond length	0.011 *
RMSD bond angle	1.829 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.076 *	0.371 *
Total number of observations	112861 *
Number of reflections	35597
Completeness [%]	89.2	70.3
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7		PROTEIN WAS RESUSPENDED IN 30 MM PHOSPHATE BUFFER, PH 7.0, DEOXYGENATED AND CONCENTRATED TO 160 MG/ML. PROTEIN WAS CRYSTALLIZED IN AN ANAEROBIC CHAMBER IN TUBE CONTAINING 10 UL PROTEIN SOLUTION, 5 UL CITRATE BUFFER (PH 4.0), AND 4UL OF 33% PEG 8K.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000	33 (%)
2	1	1	sodium citrate	200 (mM)
3	1	1	Hbbeta6W	160 (mg/ml)
4	1	1	phosphate	30 (mM)