2GC9

Crystal structure of p-coumaric acid decarboxylase (NP_786857.1) from Lactobacillus plantarum at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370, 0.979035
Spacegroup name	P 32
Unit cell lengths	64.170, 64.170, 83.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.790 - 1.700
R-factor	0.17682
Rwork	0.175
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.790	27.790	1.760
High resolution limit [Å]	1.700	2.900	1.700
Rmerge	0.087	0.052	0.487
Number of reflections	41971	8503	6787
<I/σ(I)>	7.45	13.3	1.78
Completeness [%]	99.1		94.6
Redundancy	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	4	277	2.4M (NH4)2SO4, 0.1M Citrate pH 4.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K