6RGY
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97927 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 68.470, 92.710, 174.522 |
| Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
| Resolution | 87.110 - 2.200 |
| R-factor | 0.18767 |
| Rwork | 0.186 |
| R-free | 0.22694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3DGE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.033 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.110 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 | 0.539 |
| Number of reflections | 55215 | 4509 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 1,8M HH4SO4, 0,1M citrato 7,5 |
