3SY8
Crystal structure of the response regulator RocR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 118.795, 118.795, 495.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.960 - 2.500 |
| R-factor | 0.2197 |
| Rwork | 0.216 |
| R-free | 0.28530 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.635 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.042 | 0.026 | 0.625 |
| Number of reflections | 60623 | ||
| <I/σ(I)> | 24.8 | ||
| Completeness [%] | 82.9 | 99 | 40.3 |
| Redundancy | 12 | 11.4 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 15-20% PEG 3350, 5% glycerol, 0.2M sodium tartrate, 0.1M sodium HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 291K |
