6RH8
Revisiting pH-gated conformational switch. Complex HK853 mutant H260A -RR468 mutant D53A pH 5.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 68.547, 92.189, 175.015 |
| Unit cell angles | 90.00, 93.61, 90.00 |
Refinement procedure
| Resolution | 87.330 - 1.900 |
| R-factor | 0.17929 |
| Rwork | 0.177 |
| R-free | 0.21924 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3DGE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.994 |
| 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] | 87.330 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 84541 | 4396 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 294 | 1,2M NH4SO4, 0,1M BisTris pH 5.3 |
