8PDC
Complex of Histidine-containing phosphotransfer protein and receiver domain of hybrid Histidine Kinase 6 from Chaetomium thermophilum
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 | 2021-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.251, 57.469, 68.975 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.150 - 2.400 |
R-factor | 0.22257 |
Rwork | 0.220 |
R-free | 0.26794 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r25 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.742 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.970 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.157 | 0.971 |
Rmeas | 0.170 | 1.047 |
Rpim | 0.064 | 0.388 |
Total number of observations | 66052 | 7181 |
Number of reflections | 9386 | 975 |
<I/σ(I)> | 9.2 | 2.7 |
Completeness [%] | 100.0 | |
Redundancy | 7 | 7.4 |
CC(1/2) | 0.996 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.6 M ammonium sulphate 1 M lithium sulphate |