6DXX
Human 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 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.69 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.610, 99.798, 92.756 |
| Unit cell angles | 90.00, 96.13, 90.00 |
Refinement procedure
| Resolution | 46.113 - 2.700 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u7z |
| RMSD bond length | 0.005 |
| 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 | 37978 | |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M NaSCN and 20 % PEG 3350 |
