1RTX

Crystal Structure of Synechocystis Hemoglobin with a Covalent Heme Linkage

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.737570, 1.239793, 1.739925
Spacegroup name	P 21 21 21
Unit cell lengths	42.500, 46.000, 61.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.760 - 1.800
R-factor	0.218
Rwork	0.218
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	3.956
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.760	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.211
Number of reflections	10617
Completeness [%]	97.2	78.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	30% PEG MME 5000, 0.2M ammonium sulfate, 0.01 cadmium chloride, 0.1M MES, 0.01M potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	30% PEG MME 5000, 0.2M ammonium sulfate, 0.01 cadmium chloride, 0.1M MES, 0.01M potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	30% PEG MME 5000, 0.2M ammonium sulfate, 0.01 cadmium chloride, 0.1M MES, 0.01M potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K