8RQJ
Histidine-containing phosphotransfer protein from Chaetomium termophilum mutant R158A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-23 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 122.350, 123.156, 128.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.000 - 3.400 |
R-factor | 0.24669 |
Rwork | 0.244 |
R-free | 0.30189 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.807 |
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] | 72.000 | 3.670 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.258 | 1.971 |
Rmeas | 0.269 | 2.049 |
Rpim | 0.076 | 0.559 |
Number of reflections | 6876 | 1389 |
<I/σ(I)> | 8.8 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 12.7 | |
CC(1/2) | 0.998 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.6 M Ammonium Sulfate 1.0 M Lithium Sulfate |