5F6X
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from 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 | 2013-03-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.480, 35.558, 58.110 |
| Unit cell angles | 90.00, 111.64, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.560 |
| R-factor | 0.17523 |
| Rwork | 0.174 |
| R-free | 0.19314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u9b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.308 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.040 | 0.193 |
| Number of reflections | 27496 | |
| <I/σ(I)> | 32.8 | 5.1 |
| Completeness [%] | 99.6 | 94.3 |
| Redundancy | 3.6 | 2.9 |
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 |
