4N28

Crystal structure of Protein Arginine Deiminase 2 (1 mM 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	202.689, 51.632, 76.270
Unit cell angles	90.00, 105.57, 90.00

Refinement procedure

Resolution	37.898 - 1.879
R-factor	0.1737
Rwork	0.172
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n25
RMSD bond length	0.011
RMSD bond angle	1.235
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.898
High resolution limit [Å]	1.879	1.879
Rmerge	0.104	0.544
Number of reflections	59202
<I/σ(I)>	13.8	2
Completeness [%]	95.1
Redundancy	4

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