5F6V
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2014-03-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.757, 35.233, 57.951 |
| Unit cell angles | 90.00, 111.96, 90.00 |
Refinement procedure
| Resolution | 26.873 - 1.492 |
| R-factor | 0.154 |
| Rwork | 0.152 |
| R-free | 0.18380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u9b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.086 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.059 | 0.778 |
| Number of reflections | 31125 | |
| <I/σ(I)> | 31.9 | 2.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 0.1M Tris pH 8.5, 8% (w/v) polyethylene glycol 8000 |
