4RGS
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 63.679, 82.816, 63.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.401 - 2.298 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.22500 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.298 | 2.300 |
| Number of reflections | 15395 | |
| <I/σ(I)> | 10.8 | 3.46 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.9 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.4 M Sodium Malonate pH 7.0, 0.1 M Bis-Tris Propane pH 7.0, 5mM Vanilin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
