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 |