9TD5
ERAP1 in complex with 1-[2-(5-chloro-2-oxo-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 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 | 113.199, 140.424, 57.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.640 - 1.450 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.19100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| 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 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmeas | 0.135 | |
| Number of reflections | 162992 | 11940 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% w/v PEG 3350, 0.2 M KSCN |
