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 |