9TD3
ERAP1 in complex with 1-[2-(6-bromo-2,2-difluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-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 | 112.877, 140.457, 57.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.370 - 1.570 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmeas | 0.139 | |
| Number of reflections | 128660 | 9436 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.500 |
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 |
