4XKM

Crystal structure of Xylose Isomerase from an human intestinal tract microbe Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979350
Spacegroup name	P 1
Unit cell lengths	96.268, 101.658, 108.307
Unit cell angles	82.76, 68.24, 82.98

Refinement procedure

Resolution	38.210 - 2.100
R-factor	0.18686
Rwork	0.186
R-free	0.21131
RMSD bond length	0.004
RMSD bond angle	0.786
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	214399
<I/σ(I)>	19.4
Completeness [%]	98.3
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	100 mM sodium chloride, 100 mM bicine pH9.0, 20%(v/v) polyethylene glycol monomethyl ether 550 (PEG MME 550)