6SZP

High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.008
Spacegroup name	P 41
Unit cell lengths	54.945, 54.945, 87.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.560 - 1.760
R-factor	0.2022
Rwork	0.201
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.560	1.800
High resolution limit [Å]	1.760	1.760
Number of reflections	25915	1824
<I/σ(I)>	11.98	1.52
Completeness [%]	99.6	95.4
Redundancy	6.67
CC(1/2)	0.998	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	reservoir: 0.1M MES pH 6.0 + 30% PEG6000 drop: 1+1 (v/v) cryo protectant: reservoir + 20%(v/v) glycerol