9TD4
ERAP1 in complex with 1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzoxazol-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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.759, 140.562, 57.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.330 - 1.730 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.20000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.201 | |
| Number of reflections | 96400 | 6990 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.403 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% w/v PEG 1500, 0.1 M MMT buffer pH 6 |
