3OSD

Crystal structure of a putative glycosyl hydrolase (BT2157) from BACTEROIDES THETAIOTAOMICRON VPI-5482 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	2010-07-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97918,0.97903
Spacegroup name	P 43 21 2
Unit cell lengths	87.420, 87.420, 97.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.454 - 1.800
R-factor	0.1607
Rwork	0.160
R-free	0.18360
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.408
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]	29.454	29.454	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge		0.034	0.802
Total number of observations		2280	15153
Number of reflections	35272
<I/σ(I)>	14.3	44.8	2.1
Completeness [%]	99.4	97.8	99
Redundancy	5.8	4.9	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	277	0.2M K3Citrate, 20.0% PEG-3350, No Buffer pH 8.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K