1C7D

DEOXY RHB1.2 (RECOMBINANT HEMOGLOBIN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-12-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	63.144, 83.282, 53.928
Unit cell angles	90.00, 99.07, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.189 *
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aby
RMSD bond length	0.011
RMSD bond angle	0.015
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.241
Total number of observations	133741 *
Number of reflections	45959
<I/σ(I)>	11.3	4.42
Completeness [%]	90.2	87.4
Redundancy	2.9 *	2.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7 *		PERUTZ, J.CRYST.GROWTH 2(1968)54-56, pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium phosphate	10 (mM)