9TFN
ERAP1 in complex with (3R,4R)-1-{3-cyano-4-methyl-6-[(4-methyloxan-4-yl)amino]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 | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 113.012, 141.568, 57.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.320 - 1.739 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.25490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8 (16-JUL-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.000 | 1.800 |
| High resolution limit [Å] | 1.730 | 1.740 |
| Rmeas | 0.173 | |
| Number of reflections | 82810 | 4141 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 86.3 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% w/v PEG 1500, 0.1 M SPG buffer pH 5.5 |
