6HSD
Crystal structure of the oxidized form of the transcription regulator RsrR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.290, 94.510, 99.940 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 47.260 - 1.600 |
| R-factor | 0.1426 |
| Rwork | 0.140 |
| R-free | 0.19030 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.436 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.260 | 47.260 | 1.660 |
| High resolution limit [Å] | 1.600 | 6.200 | 1.600 |
| Rmerge | 0.040 | 0.025 | 1.436 |
| Rmeas | 0.047 | 0.029 | 1.662 |
| Rpim | 0.024 | 0.015 | 0.828 |
| Total number of observations | 332569 | ||
| Number of reflections | 87187 | 1537 | 8413 |
| <I/σ(I)> | 19.5 | ||
| Completeness [%] | 98.6 | 98 | 96.7 |
| Redundancy | 3.8 | 3.6 | 3.9 |
| CC(1/2) | 0.999 | 0.999 | 0.375 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | NaCl, PEG6000, MES, anaerobic |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | NaCl, PEG6000, MES, anaerobic |
