5GPE
Crystal structure of the transcription regulator PbrR691 from Ralstonia metallidurans CH34 in complex with Lead(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.938, 67.903, 89.723 |
| Unit cell angles | 109.33, 89.82, 90.32 |
Refinement procedure
| Resolution | 30.000 - 2.010 |
| R-factor | 0.17847 |
| Rwork | 0.177 |
| R-free | 0.21356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5D07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.361 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.420 | |
| Number of reflections | 88839 | |
| <I/σ(I)> | 23.5 | 5.3 |
| Completeness [%] | 95.9 | 94.2 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | Tacsimate, HEPES, PEG3350 |
