1J7S

Crystal Structure of deoxy HbalphaYQ, a 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	1999-07-01
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	14.000 - 2.200
R-factor	0.194 *
Rwork	0.160
R-free	0.22500 *
RMSD bond length	0.016
RMSD bond angle	0.120
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000 *
High resolution limit [Å]	2.200	2.200
Rmerge	0.054 *	0.093
Number of reflections	28293
<I/σ(I)>	15.1
Completeness [%]	96.3 *	94.2
Redundancy	4.6 *	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *	293	Perutz, M.F., (1968) J.Crystal Growth, 2, 54. *
1	Batch method *	6.5 *	293	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)