5XX1

Crystal structure of Arginine decarboxylase (AdiA) from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	179.360, 193.250, 280.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.120 - 3.100
R-factor	0.24213
Rwork	0.241
R-free	0.27179
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vyc
RMSD bond length	0.005
RMSD bond angle	0.935
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.120	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.260	0.720
Rpim	0.095	0.267
Number of reflections	160279	21162
<I/σ(I)>	7.2	2.7
Completeness [%]	91.2	83.4
Redundancy	8	7.6
CC(1/2)	0.972	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8	298	2.0M NaCl and 10% PEG8000, Tris pH 8.0