3R67

Crystal structure of a putative glycosidase (BT_4094) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.30 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	2010-07-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.90497,0.97925
Spacegroup name	P 1 21 1
Unit cell lengths	84.920, 101.650, 86.560
Unit cell angles	90.00, 111.63, 90.00

Refinement procedure

Resolution	29.811 - 2.300
R-factor	0.1546
Rwork	0.152
R-free	0.20160
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.811	29.811	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge		0.051	0.590
Total number of observations		2519	17056
Number of reflections	60752
<I/σ(I)>	7.3	17	2.4
Completeness [%]	100.0	95.8	100
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277	0.2M MgFormate, 20.0% PEG-3350, No Buffer pH 5.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K