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 |