5OYN

Crystal structure of D-xylonate dehydratase in holo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	270.420, 236.130, 65.160
Unit cell angles	90.00, 97.38, 90.00

Refinement procedure

Resolution	29.935 - 2.700
R-factor	0.179
Rwork	0.177
R-free	0.21750
RMSD bond length	0.007
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.690	2.730
High resolution limit [Å]	2.660	2.660
Number of reflections	114638	17945
<I/σ(I)>	17.2	2.1
Completeness [%]	99.0	95.8
Redundancy	3.4	3.4
CC(1/2)	0.990	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3.8 M sodium formate pH 7.0, 0.1 M TES pH 7.0, 5 mM magnesium formate, 4% PEG 3350