1SPG

CARBONMONOXY HEMOGLOBIN FROM THE TELEOST FISH LEIOSTOMUS XANTHURUS

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	293.15
Detector technology	AREA DETECTOR
Collection date	1993-11-29
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	89.600, 75.600, 69.700
Unit cell angles	90.00, 141.90, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.191
Rwork	0.191
R-free	0.24500
Structure solution method	INITIAL PHASES FROM THE ISOMORPHOUS PHOSPHATE BOUND SPOT R-STATE HEMOGLOBIN (S. MYLVAGANAM AND E. GETZOFF, UNPUBLISHED)
RMSD bond length	0.012
RMSD bond angle	20.300 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.070
High resolution limit [Å]	1.950	1.950
Rmerge	0.040
Total number of observations	27397 *
Number of reflections	16125
<I/σ(I)>	26.6
Completeness [%]	76.0	38
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	0.01 (M)
2	1	1	PEG6000
3	1	1	calcium acetate	0.01 (M)