4R03

Crystal structure of a DUF3836 family protein (BDI_3222) from Parabacteroides distasonis ATCC 8503 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97934,0.97907
Spacegroup name	I 21 21 21
Unit cell lengths	59.001, 71.697, 82.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.084 - 1.500
R-factor	0.1675
Rwork	0.166
R-free	0.18760
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.736
Data reduction software	XDS
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	SHELX
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.084	27.084	1.600
High resolution limit [Å]	1.500	3.310	1.500
Rmerge	0.045	0.027	0.483
Number of reflections	27948	2759	4505
<I/σ(I)>	14.96	38	1.9
Completeness [%]	98.2	98.8	91.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	40.00% 2-methyl-2,4-pentanediol, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K