7SH0
CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2021-06-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.485, 135.949, 129.812 |
| Unit cell angles | 90.00, 90.49, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.200 |
| R-factor | 0.2097 |
| Rwork | 0.207 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kiv |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.511 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.390 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.132 | 1.200 |
| Number of reflections | 42605 | 6543 |
| <I/σ(I)> | 8.5 | 1 |
| Completeness [%] | 99.0 | 96 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.990 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 296 | 12% Ethylene glycol, 6% PEG8000;0.1m MES and imidazole |
