6OMQ
Crystal structure of PtmU3 complexed with PTM substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 112.564, 122.864, 139.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.730 - 1.860 |
R-factor | 0.1837 |
Rwork | 0.181 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6omp |
RMSD bond length | 0.012 |
RMSD bond angle | 1.737 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.890 |
High resolution limit [Å] | 1.860 | 5.040 | 1.860 |
Rmerge | 0.037 | 0.021 | 0.937 |
Rmeas | 0.040 | 0.023 | 1.014 |
Rpim | 0.015 | 0.009 | 0.382 |
Number of reflections | 81204 | 4295 | 4026 |
<I/σ(I)> | 12.9 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 7.2 | 7.1 | 7 |
CC(1/2) | 0.999 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM Bis-Tris propane pH 7.0, 2.8 M Sodium acetate trihydrate, 4 mM Manganese |