9TF3
ERAP1 in complex with (3S,4S)-1-(3-cyano-6-methylpyridin-2-yl)-4-(propan-2-yl)pyrrolidine-3-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 | 112.893, 140.329, 57.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.170 - 1.870 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.000 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmeas | 0.242 | |
| Number of reflections | 76171 | 3705 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.293 |
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 5.5 |
