4RPO
PcpR inducer binding domain (Complex with 2,4,6-trichlorophenol)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | H 3 |
Unit cell lengths | 169.751, 169.751, 110.115 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.606 - 1.950 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rns |
RMSD bond length | 0.009 |
RMSD bond angle | 1.143 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 | 1.980 |
High resolution limit [Å] | 1.950 | 2.150 | 1.950 |
Rmerge | 0.080 | ||
Number of reflections | 86296 | ||
Completeness [%] | 100.0 | 100 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.2 M sodium tartrate dibasic dihydrate, 20% w/v PEG 4,000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |