6DXZ

Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 43 3 2
Unit cell lengths	159.143, 159.143, 159.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.941 - 2.700
R-factor	0.1856
Rwork	0.182
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u7z
RMSD bond length	0.004
RMSD bond angle	0.783
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	19528
<I/σ(I)>	38.5
Completeness [%]	100.0
Redundancy	71.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			0.2 M tripotassium citrate with 20 % PEG 3350