4QHZ

Crystal structure of a putative glycosyl hydrolase (BDI_3914) from Parabacteroides distasonis ATCC 8503 at 2.13 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	2013-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97895
Spacegroup name	P 1 21 1
Unit cell lengths	47.774, 144.763, 82.452
Unit cell angles	90.00, 101.27, 90.00

Refinement procedure

Resolution	48.254 - 2.130
R-factor	0.1724
Rwork	0.171
R-free	0.20350
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.254		2.210
High resolution limit [Å]	2.130	4.570	2.130
Rmerge	0.111	0.056	0.477
Number of reflections	58318	5820	6159
<I/σ(I)>	6.96	15.1	2.1
Completeness [%]	95.0	92.4	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP		277	0.2M magnesium acetate, 20.0% polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP		277	0.2M magnesium acetate, 20.0% polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K