4R8O

Crystal structure of a DUF3836 family protein (BVU_1206) from Bacteroides vulgatus ATCC 8482 at 2.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-26
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 31 2 1
Unit cell lengths	98.080, 98.080, 89.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.040 - 2.500
R-factor	0.18
Rwork	0.177
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.040	49.040	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.087	0.043	2.439
Number of reflections	17436	222	1254
<I/σ(I)>	16.06	36.5	0.75
Completeness [%]	99.4	95.3	98.3
Redundancy	9.79		8.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25.0% Glycerol 1.50M ammonium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K