9GKE
ERAP1 in complex with 1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.789, 140.420, 57.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.940 - 1.367 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.20730 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.000 | 1.450 |
| High resolution limit [Å] | 1.367 | 1.370 |
| Number of reflections | 167841 | 8395 |
| <I/σ(I)> | 20.1 | 1.6 |
| Completeness [%] | 86.7 | |
| Redundancy | 13.6 | |
| CC(1/2) | 1.000 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 24% w/v PEG 1500, 0.1 M SPG buffer pH 5.5 |
