3D4R

CRYSTAL STRUCTURE OF a DUF2118 family protein (MMP0046) FROM METHANOCOCCUS MARIPALUDIS AT 2.20 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	2008-03-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929,0.97913
Spacegroup name	P 21 21 21
Unit cell lengths	88.877, 109.858, 135.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.940 - 2.200
R-factor	0.195
Rwork	0.193
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.781
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.940	2.260
High resolution limit [Å]	2.200	2.200
Rmerge		0.612
Number of reflections	68137
<I/σ(I)>		1.1
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			277	21.5% polyethylene glycol 3350, 0.214M ammonium citrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K