6QLJ
Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 141.887, 141.887, 141.887 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.160 - 1.770 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zaf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.130 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.160 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.114 | |
| Number of reflections | 23136 | |
| <I/σ(I)> | 9.62 | |
| Completeness [%] | 98.6 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | LMB screen (Molecular Dimensions) D7 15 % w/v PEG 3350, 0.1 M MES pH 6.2 |
