6DXQ

Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	82.521, 78.301, 135.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.020
R-factor	0.1923
Rwork	0.176
R-free	0.21560
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1108)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.800	2.090
High resolution limit [Å]	2.020	2.020
Number of reflections	112743
<I/σ(I)>	10.7
Completeness [%]	99.4
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1 M sodium malonate 12% (w/v) polyethyleneglycol 3350