3HVM

Agmatine Deiminase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-02-24
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	52.082, 52.082, 246.398
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.370 - 2.100
R-factor	0.202
Rwork	0.200
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cmu
RMSD bond length	0.020
RMSD bond angle	1.853
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.370	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.043	0.143
Number of reflections	18081
<I/σ(I)>	31.053	16.5
Completeness [%]	76.0	59.8
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	15% PEG 4K, 10 mM sodium citrate pH 5.6, and 7% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K