1HDB

ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN

Experimental procedure

Collection date	1994-07-04
Spacegroup name	P 1 21 1
Unit cell lengths	63.540, 83.190, 54.020
Unit cell angles	90.00, 99.15, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.149
RMSD bond length	0.017
RMSD bond angle	0.038
Data reduction software	XENGEN
Refinement software	GPRLSA

Data quality characteristics

	Overall
High resolution limit [Å]	2.200 *
Rmerge	0.070 *
Number of reflections	27163
Completeness [%]	84.0
Redundancy	2.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *		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)