7KZ9
Crystal structure of Pseudomonas sp. PDC86 substrate-binding protein Aapf in complex with a signaling molecule HEHEAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 |
Unit cell lengths | 42.395, 62.576, 92.602 |
Unit cell angles | 97.22, 91.65, 89.97 |
Refinement procedure
Resolution | 42.380 - 1.900 |
R-factor | 0.1959 |
Rwork | 0.194 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uqw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.939 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.380 | 42.380 | 2.010 |
High resolution limit [Å] | 1.900 | 5.660 | 1.900 |
Rmerge | 0.079 | 0.031 | 0.729 |
Rmeas | 0.104 | 0.039 | 0.958 |
Total number of observations | 157765 | ||
Number of reflections | 71335 | 2685 | 11406 |
<I/σ(I)> | 7.1 | 22.48 | 1.12 |
Completeness [%] | 95.6 | 95.3 | 94.4 |
Redundancy | 2.212 | 2.371 | 2.29 |
CC(1/2) | 0.995 | 0.997 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 298 | 0.1 M Bis-Tris (pH 6.5), and 2.6 M Ammonium sulfate |