4N2F

Crystal structure of Protein Arginine Deiminase 2 (D169A, 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
Detector technology	CCD
Collection date	2010-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	202.780, 51.020, 75.840
Unit cell angles	90.00, 105.64, 90.00

Refinement procedure

Resolution	37.699 - 1.800
R-factor	0.1726
Rwork	0.171
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n20
RMSD bond length	0.009
RMSD bond angle	1.215
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]	37.699
High resolution limit [Å]	1.800	1.800
Rmerge	0.076	0.497
Number of reflections	69618
<I/σ(I)>	9.9	2.7
Completeness [%]	100.0
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