4N2M

Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	202.261, 51.636, 76.191
Unit cell angles	90.00, 105.60, 90.00

Refinement procedure

Resolution	42.660 - 1.599
R-factor	0.1779
Rwork	0.177
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n20
RMSD bond length	0.007
RMSD bond angle	1.265
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]	42.660
High resolution limit [Å]	1.599	1.599
Rmerge	0.066	0.660
Number of reflections	99810
<I/σ(I)>	26.8	2
Completeness [%]	99.5	98.6
Redundancy	4.2

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