1CG5

DEOXY FORM HEMOGLOBIN FROM DASYATIS AKAJEI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	298
Spacegroup name	P 31 1 2
Unit cell lengths	77.760, 77.760, 99.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.600
R-factor	0.191 *
Rwork	0.191
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hhb
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.068	0.263
Total number of observations	209235 *
Number of reflections	42219	3544 *
<I/σ(I)>		1
Completeness [%]	92.7	78.1
Redundancy	4.9

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.8-2.0 (M)
2	1	1	haemoglobin	2 (%)