5XD9

Crystal structure analysis of 3,6-anhydro-L-galactonate cycloisomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 41 21 2
Unit cell lengths	89.821, 89.821, 142.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.406 - 2.600
R-factor	0.1752
Rwork	0.169
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xd7
RMSD bond length	0.009
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Number of reflections	119413
<I/σ(I)>	13.5
Completeness [%]	95.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M magnesium acetate tetrahydrate, 0.1M sodium cacodylate (pH 6.5), 20% (w/v) polyethylene glycol 8000