6R1S
EthR ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9174 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 120.894, 120.894, 33.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.440 - 1.800 |
| R-factor | 0.20185 |
| Rwork | 0.200 |
| R-free | 0.23498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.661 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.000 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.560 |
| Rmeas | 0.070 | |
| Number of reflections | 43521 | 11505 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 98.4 | 95.8 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM HEPES, 1.4-1.6 M Ammoniumsulfate |
