4N2E

Crystal structure of Protein Arginine Deiminase 2 (D123N, 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
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	203.386, 51.917, 76.587
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	38.417 - 1.858
R-factor	0.1706
Rwork	0.169
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n25
RMSD bond length	0.011
RMSD bond angle	1.316
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]	38.417
High resolution limit [Å]	1.858	1.858
Rmerge	0.106	0.755
Number of reflections	65016
<I/σ(I)>	15.1	2
Completeness [%]	99.7
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