6C28
Transcriptional repressor, CouR, bound to p-coumaroyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.854, 104.006, 128.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.920 - 2.090 |
R-factor | 0.21173 |
Rwork | 0.209 |
R-free | 0.26406 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.120 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.801 | 2.126 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.056 | 0.950 |
Rmeas | 0.061 | 1.029 |
Rpim | 0.024 | 0.392 |
Number of reflections | 43271 | 2130 |
<I/σ(I)> | 20.5 | 2.2 |
Completeness [%] | 99.0 | 98.5 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.17 M lithium sulfate, 23.5% PEG 4K, 1 mM DTT, 0.085 M Tris-HCl pH 8.5, 15% glycerol |