8AUP

Structure of hARG1 with a novel inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	67.360, 52.750, 283.600
Unit cell angles	90.00, 90.65, 90.00

Refinement procedure

Resolution	49.110 - 2.170
R-factor	0.2076
Rwork	0.207
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gwd
RMSD bond length	0.003
RMSD bond angle	0.599
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.300
High resolution limit [Å]	2.170	2.170
Number of reflections	105864	16919
<I/σ(I)>	6.1
Completeness [%]	99.5
Redundancy	3.75
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	MPD, PEG 1000, PEG 3350, HEPES-Na, MOPS, hexanediol, butanol, propandiol, propanol, butandiol, propandiol