8EAZ
HOIL-1/E2-Ub/Ub transthiolation complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.953, 95.478, 115.006 |
| Unit cell angles | 90.00, 110.58, 90.00 |
Refinement procedure
| Resolution | 47.740 - 3.080 |
| R-factor | 0.2333 |
| Rwork | 0.232 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q5e AlphaFold |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.463 |
| Data reduction software | XDS (VERSION Feb 5, 2021) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.740 | 3.250 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.230 | 2.624 |
| Number of reflections | 31532 | 4460 |
| <I/σ(I)> | 4.3 | 0.9 |
| Completeness [%] | 99.5 | 96.9 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.986 | 0.397 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | 28% PEG smear broad, 0.2 M sodium chloride, 0.1 M sodium phosphate, pH 6.2 |
