4ZGF

Crystal structure of a duf4847 family protein (BVU_2626) from Bacteroides vulgatus ATCC 8482 at 1.00 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	2015-02-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97946,0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	31.747, 55.486, 76.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.304 - 1.000
R-factor	0.117
Rwork	0.116
R-free	0.13650
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.721
Data reduction software	XDS
Data scaling software	XSCALE (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.304		1.040
High resolution limit [Å]	1.000	2.150	1.000
Rmerge	0.038	0.015	0.644
Rmeas	0.050	0.021	0.851
Total number of observations	281103
Number of reflections	72996	13799	14545
<I/σ(I)>	12.26	42.4	1.4
Completeness [%]	98.2	97.3	93.4
Redundancy	2.035

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES pH 7.5, 40% polyethylene glycol 400, 0.2M calcium acetate