1S69

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	84.060, 84.060, 64.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.500 - 1.680
R-factor	0.1927
Rwork	0.192
R-free	0.19921
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dly
RMSD bond length	0.023
RMSD bond angle	1.809
Data reduction software	CRYSTAL (VIEW)
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.490	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.055	0.343
Number of reflections	37950
<I/σ(I)>	15.3	2.1
Completeness [%]	75.2	5
Redundancy	4.92	1.02

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6	277	1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6	277	1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K