4ONZ

Crystal structure of a putative glycoside hydrolase (BACOVA_02161) from Bacteroides ovatus ATCC 8483 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	PIXEL
Collection date	2013-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97953,0.97899
Spacegroup name	C 1 2 1
Unit cell lengths	79.575, 50.331, 85.631
Unit cell angles	90.00, 94.38, 90.00

Refinement procedure

Resolution	29.521 - 1.850
R-factor	0.1585
Rwork	0.156
R-free	0.20140
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.413
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.521	29.521	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge		0.059	0.620
Total number of observations		1014	6334
Number of reflections	28087
<I/σ(I)>	7.7	8.4	1.2
Completeness [%]	96.9	94	94.3
Redundancy	3.2	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K