5FRX
crystal structure of the phenol-responsive sensory domain of the transcription activator PoxR in complex with 4-nitrophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 287 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.241, 70.470, 105.236 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.290 - 2.400 |
R-factor | 0.2146 |
Rwork | 0.206 |
R-free | 0.28840 |
Structure solution method | MIR |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.037 |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.160 | 0.976 |
Number of reflections | 19340 | |
<I/σ(I)> | 46.79 | 2.46 |
Completeness [%] | 99.7 | 100 |
Redundancy | 13.5 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.18 M potassium chloride, 0.01 M magnesium sulfate heptahydrate, 0.05 M MES monohydrate (pH 5.6) |