6DY2

Guinea pig N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726

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	2018-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	71.885, 98.863, 117.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.431 - 2.706
R-factor	0.1887
Rwork	0.184
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u7z
RMSD bond length	0.003
RMSD bond angle	0.687
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.706	2.706
Number of reflections	23122
<I/σ(I)>	16
Completeness [%]	98.0
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M KH2PO4 and 20 % PEG 3350