1QSI

MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-11-20
Detector	FUJI
Spacegroup name	P 1 21 1
Unit cell lengths	63.150, 83.590, 53.800
Unit cell angles	90.00, 99.34, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.186
Rwork	0.186
RMSD bond length	0.018
RMSD bond angle	2.400
Data reduction software	WEIS
Data scaling software	WEIS
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	1.810
High resolution limit [Å]	1.700 *	1.700
Rmerge	0.078
Number of reflections	112877
Completeness [%]	91.6 *	77.4 *
Redundancy	2.6

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)