4L8N

Crystal structure of a PDZ domain protein (BDI_1242) from Parabacteroides distasonis ATCC 8503 at 2.50 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	2013-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97882,0.91837
Spacegroup name	P 31 2 1
Unit cell lengths	104.093, 104.093, 96.277
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.138 - 2.500
R-factor	0.1879
Rwork	0.186
R-free	0.21950
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.080
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]	48.138	48.140	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.067	0.030	1.147
Number of reflections	21215	282	1544
<I/σ(I)>	16.46	48.2	1.58
Completeness [%]	99.5	97.6	99.5
Redundancy	6.55		6.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	42.00% Ethanol, 0.0500M magnesium chloride, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K