7JYA
Crystal structure of E3 ligase in complex with peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.133, 100.133, 287.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.330 - 2.460 |
| R-factor | 0.2218 |
| Rwork | 0.220 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ma4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.500 |
| High resolution limit [Å] | 2.460 | 6.670 | 2.460 |
| Rmerge | 0.059 | 0.025 | 0.970 |
| Rmeas | 0.064 | 0.027 | 1.051 |
| Rpim | 0.024 | 0.011 | 0.397 |
| Total number of observations | 366983 | ||
| Number of reflections | 53959 | 2929 | 2692 |
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.5 | 97.2 | 99.9 |
| Redundancy | 6.8 | 6.4 | 6.7 |
| CC(1/2) | 0.998 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 16% Jeffamine M-600 pH 7.0 and 0.1 M HEPES 7.0 |
