4YOK

Crystal structure of a DUF3823 family protein (PARMER_04126) from Parabacteroides merdae ATCC 43184 at 1.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	41.866, 66.212, 68.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.531 - 1.800
R-factor	0.1753
Rwork	0.173
R-free	0.21410
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XDS (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.531		1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.062	0.026	0.649
Rmeas	0.078	0.033	0.821
Total number of observations	87402
Number of reflections	18276	3361	3161
<I/σ(I)>	11.04	31.3	1.5
Completeness [%]	99.0	97.4	98.3
Redundancy	2.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	293	0.2M magnesium chloride, 32.0% polyethylene glycol 1000, 0.01M GSH (L-Glutathione reduced), GSSG (L-Glutathione oxidized), 0.1M sodium cacodylate pH 6.33