4KW2

Crystal structure of a Putative uncharacterized protein (BDI_1873) from Parabacteroides distasonis ATCC 8503 at 2.32 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)	0.8434,0.9787,0.96911
Spacegroup name	F 4 3 2
Unit cell lengths	200.095, 200.095, 200.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.881 - 2.320
R-factor	0.1847
Rwork	0.183
R-free	0.21960
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.977
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.881	28.881	2.380
High resolution limit [Å]	2.320	10.380	2.320
Rmerge		0.026	0.026
Total number of observations		6924	40026
Number of reflections	15409
<I/σ(I)>	13.7	8.5	0.3
Completeness [%]	100.0	95.6	100
Redundancy	35.8	31.8	36.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.19	293	1.48M ammonium sulfate, 0.1M phosphate-citrate pH 4.19, Additive 0.005 M Myo-Inositol, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K