3DUE

CRYSTAL STRUCTURE OF A PUTATIVE PERIPLASMIC PROTEIN FROM DUF2874 FAMILY (BVU_2987) FROM BACTEROIDES VULGATUS ATCC 8482 AT 1.85 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	CCD
Collection date	2008-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97926,0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	31.601, 50.874, 79.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.361 - 1.850
R-factor	0.19432
Rwork	0.192
R-free	0.23321
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.654
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.361	29.370	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.109	0.052	0.588
Number of reflections	11519
<I/σ(I)>	5.4	10.9	1.3
Completeness [%]	100.0	97.1	100
Redundancy	3.5	2.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	35.0000% 2-ethoxyethanol, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K