1S66

Crystal structure of heme domain of direct oxygen sensor from E. coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.738,1.741,1.033
Spacegroup name	P 21 21 21
Unit cell lengths	47.189, 68.310, 82.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.234
Rwork	0.189
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.023
RMSD bond angle	1.690
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.055
Number of reflections	23111

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	PEG, Na Tartarate, Na acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K