3FN8

Crystal Structure of MerB complexed with mercury

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-15
Detector	MARRESEARCH
Wavelength(s)	1.0073
Spacegroup name	P 1 21 1
Unit cell lengths	38.638, 88.972, 54.680
Unit cell angles	90.00, 97.16, 90.00

Refinement procedure

Resolution	46.320 - 1.880
R-factor	0.187
Rwork	0.184
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.05)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.870	1.870
Rmerge	0.071	0.000
Number of reflections	20330
<I/σ(I)>	29.67	2.1
Completeness [%]	65.9	3.8
Redundancy	7.7	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	283	2 microliter protein (in 20 mM tris pH 8, 0.5 mM EDTA, 5% v/v glycerol) mixed with 2 microliter precipitant (40% w/v PEG 550 monomethylether, 100 mM Magnesium chloride, 100 mM 2-[N-morpholino]ethanesulfonic acid monohydrate) over 1ml well of 40% w/v PEG 550 monomethylether, VAPOR DIFFUSION, HANGING DROP, temperature 283K
1		7	283	2 microliter protein (in 20 mM tris pH 8, 0.5 mM EDTA, 5% v/v glycerol) mixed with 2 microliter precipitant (40% w/v PEG 550 monomethylether, 100 mM Magnesium chloride, 100 mM 2-[N-morpholino]ethanesulfonic acid monohydrate) over 1ml well of 40% w/v PEG 550 monomethylether, VAPOR DIFFUSION, HANGING DROP, temperature 283K
1		7	283	2 microliter protein (in 20 mM tris pH 8, 0.5 mM EDTA, 5% v/v glycerol) mixed with 2 microliter precipitant (40% w/v PEG 550 monomethylether, 100 mM Magnesium chloride, 100 mM 2-[N-morpholino]ethanesulfonic acid monohydrate) over 1ml well of 40% w/v PEG 550 monomethylether, VAPOR DIFFUSION, HANGING DROP, temperature 283K