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 |