5ZNJ
Crystal structure of a bacterial ProRS with ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.139, 77.535, 74.226 |
| Unit cell angles | 90.00, 99.36, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.840 |
| R-factor | 0.19852 |
| Rwork | 0.197 |
| R-free | 0.22249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j3l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.175 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.051 | 0.488 |
| Number of reflections | 62796 | 6339 |
| <I/σ(I)> | 34.6 | 2.5 |
| Completeness [%] | 98.5 | 99.9 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 32 - 40% (v/v) Pentaerythritol propoxylate (5/4 PO/OH), 0.1 - 0.2 M KCl and 50 mM HEPES, pH 7.5 |
