2UXI
Phloretin in complex with TtgR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 47.221, 230.614, 43.942 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.270 - 2.500 |
| R-factor | 0.249 |
| Rwork | 0.245 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.634 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | |
| Number of reflections | 15174 | |
| <I/σ(I)> | 36.1 | 6.2 |
| Completeness [%] | 92.9 | 94.6 |
| Redundancy | 94.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M MGCL2, 0.1 M BIS-TRIS PH 6.5, 25% (V/V) PEG3350 |
