6RH7
Revisiting pH-gated conformational switch. Complex HK853 mutant H260A -RR468 mutant D53A pH 7.5
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 | 68.542, 91.472, 175.367 |
| Unit cell angles | 90.00, 93.56, 90.00 |
Refinement procedure
| Resolution | 87.510 - 2.000 |
| R-factor | 0.18462 |
| Rwork | 0.182 |
| R-free | 0.22871 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3DGE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.052 |
| 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] | 87.510 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 72881 | 4500 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 1,8M NH4SO4, 0,1M citrati pH 7,5 |
