5HBI

SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	93.270, 43.750, 83.350
Unit cell angles	90.00, 121.93, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.194
Rwork	0.194
R-free	0.24300
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	3sdh
RMSD bond length	0.009
RMSD bond angle	18.300 *
Data reduction software	RIGAKU
Data scaling software	RIGAKU
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.600
Rmerge	0.062
Total number of observations	85575 *
Number of reflections	33035
Completeness [%]	87.9
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5		Royer Junior, W.E., (1994) J.Mol.Biol., 235, 657. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	hemoglobin	40-50 (mg/ml)
2	1	1	phosphate	2.1-2.3 (M)