1J7Y

Crystal structure of partially ligated mutant of HbA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.570, 82.470, 53.690
Unit cell angles	90.00, 99.70, 90.00

Refinement procedure

Resolution	14.900 - 1.700
R-factor	0.155 *
Rwork	0.155
R-free	0.20100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1qi8
RMSD bond length	0.012
RMSD bond angle	0.050
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	1.700	1.700
Rmerge	0.043 *	0.131
Number of reflections	56483
<I/σ(I)>	30.1
Completeness [%]	99.8 *	98.5 *
Redundancy	6.5 *	3.2

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)