9GJN
ERAP1 in complex with 1-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-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 | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.544, 145.430, 112.853 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 112.670 - 1.717 |
| R-factor | 0.1711 |
| Rwork | 0.169 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.8 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.000 | 1.790 |
| High resolution limit [Å] | 1.710 | 1.720 |
| Number of reflections | 149277 | 7466 |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 75.9 | |
| Redundancy | 3 | |
| CC(1/2) | 0.996 | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaBr, 20% w/v PEG 3350, 0.1 M Bis-Tris propane pH 7.5 |
