1J7W

Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-10-25
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	63.360, 84.320, 54.000
Unit cell angles	90.00, 99.43, 90.00

Refinement procedure

Resolution	29.000 - 2.000
R-factor	0.171 *
Rwork	0.181
R-free	0.22300
Structure solution method	Dfifferece Fourier
Starting model (for MR)	4hhb
RMSD bond length	0.015
RMSD bond angle	0.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	2.000	2.000
Rmerge	0.085 *	0.104
Number of reflections	37227
<I/σ(I)>	15.9
Completeness [%]	94.2 *	93.8
Redundancy	3.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *	298	Perutz, M.F., (1968) J.Crystal Growth, 2, 54. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		4 (M)
2	1	1		2 (M)
3	1	1		2 (M)