6RGZ
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5
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) | 0.979270 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 68.736, 93.608, 173.927 |
Unit cell angles | 90.00, 93.35, 90.00 |
Refinement procedure
Resolution | 28.900 - 2.350 |
R-factor | 0.21728 |
Rwork | 0.215 |
R-free | 0.26512 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3DGE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.206 |
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] | 28.940 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 45694 | 4320 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 99.2 | |
Redundancy | 4.6 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 1,8M HH4SO4, 0,1M citrato 6,5 |