2UXH
TtgR in complex with Quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 46.650, 231.881, 44.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.320 - 2.400 |
| R-factor | 0.242 |
| Rwork | 0.237 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.563 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 16721 | |
| <I/σ(I)> | 5 | 1.5 |
| Completeness [%] | 96.6 | |
| Redundancy | 4.9 |
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 |
