5W46
Structure of S65D Phosphomimetic Ubiquitin Refined at 1.2 Angstroms Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.456, 48.248, 41.707 |
| Unit cell angles | 90.00, 99.03, 90.00 |
Refinement procedure
| Resolution | 41.190 - 1.180 |
| R-factor | 0.17883 |
| Rwork | 0.178 |
| R-free | 0.18989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ubq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.448 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.250 | 1.250 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.041 | 0.285 |
| Rpim | 0.031 | 0.249 |
| Number of reflections | 41677 | 5434 |
| <I/σ(I)> | 19.8 | 2.8 |
| Completeness [%] | 97.6 | 87.5 |
| Redundancy | 4.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | Tris pH 8.0, magnesium chloride, PEG 3350, Hepes |
