3GYC

Crystal structure of putative glycoside hydrolase (YP_001304622.1) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-29
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97954
Spacegroup name	P 1 21 1
Unit cell lengths	60.209, 84.915, 77.991
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	29.604 - 1.850
R-factor	0.171
Rwork	0.169
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.557
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.604	29.604	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.093	0.043	0.670
Total number of observations		2754	18642
Number of reflections	66845
<I/σ(I)>	9.4	26.6	1.9
Completeness [%]	100.0	97.8	100
Redundancy	3.8	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	NANODROP, 20.0% PEG 3000, 0.1M Citrate pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K