6DGE

Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9762
Spacegroup name	P 41
Unit cell lengths	55.242, 55.242, 89.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.005 - 1.910
R-factor	0.2166
Rwork	0.215
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i2e
RMSD bond length	0.004
RMSD bond angle	0.864
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.910	5.180	1.910
Rmerge	0.072	0.031	0.500
Number of reflections	20872	1079	1028
<I/σ(I)>	10.3
Completeness [%]	100.0	99.7	100
Redundancy	7.5	7.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	20% PEG 3350 0.2 M NaCl