6RFV
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7
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) | 0.979270 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 68.673, 93.579, 172.703 |
| Unit cell angles | 90.00, 93.32, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.830 |
| R-factor | 0.24606 |
| Rwork | 0.243 |
| R-free | 0.30923 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3DGE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.571 |
| 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] | 28.760 | 2.980 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.119 | 0.451 |
| Number of reflections | 24854 | 3270 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 95.0 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 1,8 M HH4SO4, 0,1 M citrato pH 7 |
