3OBE

Crystal structure of a sugar phosphate isomerase/epimerase (BDI_3400) from Parabacteroides distasonis ATCC 8503 at 1.70 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	CCD
Collection date	2009-12-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97910
Spacegroup name	P 1
Unit cell lengths	45.745, 48.690, 79.880
Unit cell angles	77.80, 74.67, 68.90

Refinement procedure

Resolution	27.437 - 1.700
R-factor	0.141
Rwork	0.140
R-free	0.16370
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.612
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.437	27.437	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.045	0.021	0.252
Number of reflections	64918	12698	10836
<I/σ(I)>	10.89	25.8	2.2
Completeness [%]	87.3	93.3	80.8
Redundancy			1.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.56	277	5.0% polyethylene glycol 1000, 32.9% Ethanol, 0.1M phosphate-citrate pH 4.56, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K