4RHE

Crystal structure of UbiX, an aromatic acid decarboxylase from the Colwellia psychrerythraea 34H

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	2013-06-10
Detector	ADSC QUANTUM 270r
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	107.204, 141.908, 170.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.420 - 2.003
R-factor	0.20409
Rwork	0.202
R-free	0.25024
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.010
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.539
High resolution limit [Å]	2.003	2.003
Rmerge	0.120
Number of reflections	85707
Completeness [%]	98.3	96.37
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.8	293	200 mM sodium chloride, 100 mM potassium phosphate monobasic/sodium phosphate dibasic, pH 5.8, 11% w/v PEG8000, EVAPORATION, temperature 293K