3DDE

Crystal structure of a domain of unknown function with a heme oxygenase-like fold (sden_3740) from shewanella denitrificans os217 at 2.30 A resolution

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	2008-03-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	92.810, 66.000, 84.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.173 - 2.300
R-factor	0.221
Rwork	0.220
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.173		2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.041	0.020	0.433
Number of reflections	23523	4407	3887
<I/σ(I)>	12.6	32.4	1.9
Completeness [%]	97.6	96.5	88.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.0% polyethylene glycol 3350, 0.269M magnesium nitrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K