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 |