6T1S
PPAR mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.660, 60.660, 169.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.650 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.20440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xld |
RMSD bond length | 0.011 |
RMSD bond angle | 1.151 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.705 |
High resolution limit [Å] | 1.646 | 1.646 |
Rmerge | 0.010 | |
Rpim | 0.010 | |
Number of reflections | 39355 | 3818 |
<I/σ(I)> | 25.75 | 0.95 |
Completeness [%] | 99.7 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 25% PEG3350, 0.2 M LiSO4, BisTris 0.1M pH 6.5 |