8PFA
X-ray structure of the Thermus thermophilus K167R mutant of the PilF-GSPIIB domain in the c-di-GMP bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | H 3 |
Unit cell lengths | 108.165, 108.165, 87.446 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.620 - 1.800 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.252 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.620 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.058 | 1.393 |
Rmeas | 0.061 | |
Rpim | 0.019 | 0.453 |
Number of reflections | 35354 | 3588 |
<I/σ(I)> | 18.04 | 1.4 |
Completeness [%] | 99.9 | |
Redundancy | 10.3 | |
CC(1/2) | 0.998 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.5 M LiSO4 0.1 M NaAcetate pH 6.0 |