4LG3

Crystal structure of a DUF487 family protein (DESPIG_00776) from Desulfovibrio piger ATCC 29098 at 2.49 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97818,0.91837
Spacegroup name	P 32 2 1
Unit cell lengths	85.413, 85.413, 197.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.707 - 2.400
R-factor	0.1826
Rwork	0.180
R-free	0.22540
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.720	42.720	2.460
High resolution limit [Å]	2.400	10.740	2.400
Rmerge	0.087	0.034	1.160
Number of reflections	33472	443	2440
<I/σ(I)>	19.2	69.6	1.8
Completeness [%]	99.8	98.8	99.9
Redundancy	7.1	6.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.00M ammonium sulfate, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K