4ZPZ
Crystal Structure of Semi-synthetic Ubiquitin with Phospho-Ser65 and Ala46Cys
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 | 2015-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 31 |
| Unit cell lengths | 41.699, 41.699, 69.831 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.100 - 1.540 |
| R-factor | 0.1403 |
| Rwork | 0.139 |
| R-free | 0.17270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ubq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.825 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.113 | 25.102 | 1.620 |
| High resolution limit [Å] | 1.538 | 4.860 | 1.538 |
| Rmerge | 0.047 | 0.333 | |
| Rmeas | 0.080 | ||
| Rpim | 0.044 | 0.030 | 0.235 |
| Total number of observations | 62396 | 2138 | 8089 |
| Number of reflections | 20124 | ||
| <I/σ(I)> | 10.2 | 20.7 | 3.2 |
| Completeness [%] | 99.7 | 99.2 | 98.8 |
| Redundancy | 3.1 | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 50 mM sodium cacodylate, 25% PEG 4000 |
