3K11

Crystal structure of Putative glycosyl hydrolase (NP_813087.1) 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	2009-05-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97936,0.97919
Spacegroup name	P 63 2 2
Unit cell lengths	121.135, 121.135, 182.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.988 - 1.800
R-factor	0.151
Rwork	0.150
R-free	0.17100
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.544
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.988	30.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.101	0.047	0.764
Total number of observations		5916	39181
Number of reflections	73725
<I/σ(I)>	14.3	11.9	1
Completeness [%]	100.0	98.2	100
Redundancy	7.3	6.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	5.0000% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K