9TD7
ERAP1 in complex with 1-[2-(3-oxo-6-phenyl-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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.860, 140.510, 57.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.300 - 1.370 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.18600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| 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] | 58.000 | 1.410 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmeas | 0.117 | |
| Number of reflections | 192483 | 14135 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.427 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% w/v PEG 1500, 0.1 M SPG buffer pH 5.8 |
