3P8E

Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-11
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	47.210, 80.900, 74.090
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	35.752 - 2.495
R-factor	0.2168
Rwork	0.212
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i2e
RMSD bond length	0.008
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.794	2.590
High resolution limit [Å]	2.495	2.495
Rmerge	0.140	0.575
Number of reflections	18983
<I/σ(I)>	5.9	1.97
Completeness [%]	97.4	99.8
Redundancy	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	277	20% polyethyleneglycol 6000, 0.1 M Tris-HCl, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K