3OHG

Crystal structure of a protein with unknown function from DUF2233 family (BACOVA_00430) from Bacteroides ovatus at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97919
Spacegroup name	P 61
Unit cell lengths	96.964, 96.964, 91.113
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.972 - 1.800
R-factor	0.1302
Rwork	0.129
R-free	0.15070
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.462
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.972	29.972	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge		0.094	0.536
Total number of observations		1917	12557
Number of reflections	44949
<I/σ(I)>	7.1	6.3	1.4
Completeness [%]	99.7	98.1	99.4
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.20000M Li2SO4, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K