1S6A

The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with azide ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-06-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	83.350, 83.350, 65.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.400 - 1.690
R-factor	0.19787
Rwork	0.197
R-free	0.21928
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	cyanide bound Synechocystis cyanoglobin PDb entry 1S69
Data reduction software	CRYSTAL (VIEW)
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.680	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.048	0.257
Number of reflections	34919
<I/σ(I)>	9.9	2.4
Completeness [%]	70.5	9.9
Redundancy	1.73	1.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	1.5M sodium citrate, 20% sucrose, 50mM sodium azide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K