7OOJ
Structure of D-Thr53 Ubiquitin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 105.479, 105.479, 105.479 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.170 - 2.600 |
| R-factor | 0.2426 |
| Rwork | 0.241 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ubq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.433 |
| Data reduction software | XDS |
| Data scaling software | XDS (2008/2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.220 | 47.170 | 2.650 |
| High resolution limit [Å] | 2.600 | 7.580 | 2.600 |
| Rmerge | 0.094 | 0.037 | 0.804 |
| Number of reflections | 6632 | 334 | 285 |
| <I/σ(I)> | 41.62 | 116.03 | 3.5 |
| Completeness [%] | 99.9 | 98.8 | 100 |
| Redundancy | 51.03 | 35.57 | 54.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Bis-Tris, pH 7.5, 20 % polyethylene glycol monomethyl ether 2000, 50 mM CdCl2 |
