4RPN
PcpR inducer binding domain complex with pentachlorophenol
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 | 2012-05-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 |
| Unit cell lengths | 169.048, 169.048, 110.264 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.456 - 2.272 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rns |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.018 |
| 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 | 2.560 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.500 | 2.270 |
| Rmerge | 0.082 | ||
| Number of reflections | 53656 | ||
| Completeness [%] | 99.0 | 100 | 84.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.1 M sodium malonate pH 5.0, 12% w/v polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
