4JRL

Crystal structure of a putative glycoside hydrolase (BACOVA_00087) from Bacteroides ovatus ATCC 8483 at 2.10 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	2013-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97932
Spacegroup name	H 3 2
Unit cell lengths	133.880, 133.880, 127.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.711 - 2.100
R-factor	0.1731
Rwork	0.171
R-free	0.22020
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.782
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.711		2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.106	0.033	0.862
Number of reflections	25691	5011	4605
<I/σ(I)>	10.21	31.4	1.6
Completeness [%]	99.5	99.1	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1M bicine pH 9, 2.4M ammonium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K