6DC6
Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 108 |
| Detector technology | CCD |
| Collection date | 2015-12-16 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.999, 70.438, 188.851 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 41.702 - 3.140 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cmm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.554 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.260 |
| High resolution limit [Å] | 3.150 | 6.780 | 3.150 |
| Rmerge | 0.139 | 0.080 | 0.459 |
| Rmeas | 0.165 | 0.095 | 0.566 |
| Rpim | 0.088 | 0.049 | 0.327 |
| Total number of observations | 133897 | ||
| Number of reflections | 46012 | 4637 | 4503 |
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 94.6 | 91.7 | 93.5 |
| Redundancy | 2.9 | 3.3 | 2.5 |
| CC(1/2) | 0.986 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 285 | 0.1 M MgCl2, 0.2 M Tris HCl pH 8.0, 20% PEG 4000 |
