3KWS

Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 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	2009-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97910,0.97858
Spacegroup name	P 21 21 21
Unit cell lengths	51.573, 107.200, 113.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.374 - 1.680
R-factor	0.152
Rwork	0.150
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.630
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.374	29.370	1.720
High resolution limit [Å]	1.680	7.510	1.680
Rmerge	0.132	0.063	0.541
Total number of observations		2943	19446
Number of reflections	71903
<I/σ(I)>	8.6	10	1.4
Completeness [%]	99.6	94.6	100
Redundancy	3.7	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M MgCl2, 20.0000% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K