6DY0

Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726, 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	2018-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 43 3 2
Unit cell lengths	157.871, 157.871, 157.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.923 - 3.014
R-factor	0.1994
Rwork	0.194
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u7z
RMSD bond length	0.003
RMSD bond angle	0.688
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	3.130
High resolution limit [Å]	2.978	2.978
Number of reflections	20352
<I/σ(I)>	41
Completeness [%]	100.0
Redundancy	60.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.8 M NaH2PO4, 0.8 M KH2PO4 with 0.1 M HEPES pH 7.5