9TF6
ERAP1 in complex with (3R,4R)-1-[3-cyano-6-(cyclopropylamino)pyridin-2-yl]-4-(propan-2-yl)pyrrolidine-3-carboxylic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 113.130, 140.652, 57.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.540 - 1.730 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.780 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.113 | |
| Number of reflections | 95006 | 4648 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.647 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% w/v PEG 1500, 0.1 M SPG buffer pH 5.0 |
