1A3O

ARTIFICIAL MUTANT (ALPHA Y42H) OF DEOXY HEMOGLOBIN

Experimental procedure

Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-05
Detector	RIGAKU RAXIS II
Spacegroup name	P 1 21 1
Unit cell lengths	62.440, 81.160, 53.320
Unit cell angles	90.00, 99.65, 90.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.18 *
Rwork	0.180
R-free	0.22653
RMSD bond length	0.013
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.870
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.332
Number of reflections	49373
<I/σ(I)>	18	2.9
Completeness [%]	96.0	76.4 *
Redundancy	3.2	1.36

Crystallization Conditions

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

Crystallization Reagents in Literatures

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