5YN3

Crystal structure of xylose isomerase from Piromyces sp. E2

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	2016-05-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	79.472, 126.417, 171.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.378 - 2.700
R-factor	0.1982
Rwork	0.194
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a0e
RMSD bond length	0.010
RMSD bond angle	1.441
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNX
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.700	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	48118
<I/σ(I)>	15.1
Completeness [%]	91.8
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Calcium acetate hydrate