4N24

Crystal structure of Protein Arginine Deiminase 2 (100 uM 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
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	201.760, 51.585, 75.707
Unit cell angles	90.00, 105.43, 90.00

Refinement procedure

Resolution	33.823 - 1.968
R-factor	0.1767
Rwork	0.174
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n20
RMSD bond length	0.010
RMSD bond angle	1.296
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]	33.823
High resolution limit [Å]	1.968	1.968
Rmerge	0.111	0.388
Number of reflections	50413
<I/σ(I)>	10.8	2
Completeness [%]	94.1
Redundancy	3.8

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