4N2G

Crystal structure of Protein Arginine Deiminase 2 (D169A, 10 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	2010-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	204.450, 50.940, 75.940
Unit cell angles	90.00, 105.98, 90.00

Refinement procedure

Resolution	37.782 - 1.850
R-factor	0.1804
Rwork	0.178
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n25
RMSD bond length	0.010
RMSD bond angle	1.249
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]	37.782
High resolution limit [Å]	1.850	1.850
Rmerge	0.068	0.504
Number of reflections	64573
<I/σ(I)>	11.6	2.7
Completeness [%]	100.0	100
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