4N22

Crystal structure of Protein Arginine Deiminase 2 (50 uM Ca2+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Detector technology	CCD
Collection date	2004-01-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	201.823, 51.642, 75.756
Unit cell angles	90.00, 105.54, 90.00

Refinement procedure

Resolution	33.077 - 1.889
R-factor	0.1716
Rwork	0.170
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n20
RMSD bond length	0.010
RMSD bond angle	1.204
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.077
High resolution limit [Å]	1.889	1.889
Rmerge	0.080	0.462
Number of reflections	56093
<I/σ(I)>	15.6	2
Completeness [%]	92.5
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6		10-20% MPD, 50 mM MES, pH 5.6, 0.12 M sodium acetate, VAPOR DIFFUSION, SITTING DROP