5F6Y
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole)
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 | 2013-04-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.237, 35.492, 58.122 |
Unit cell angles | 90.00, 111.82, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.140 |
R-factor | 0.1567 |
Rwork | 0.156 |
R-free | 0.17777 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u9b |
RMSD bond length | 0.019 |
RMSD bond angle | 1.941 |
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 | 1.160 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.046 | 0.269 |
Number of reflections | 65740 | |
<I/σ(I)> | 30.8 | 3 |
Completeness [%] | 94.4 | 67.5 |
Redundancy | 3.4 | 2.6 |
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 |