5JG7
Crystal structure of putative periplasmic binding protein from Salmonella typhimurium LT2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.057, 84.582, 91.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.984 - 1.700 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21330 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.734 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (dev_2328) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.030 | 0.023 | 0.320 |
Rmeas | 0.033 | 0.025 | 0.358 |
Rpim | 0.014 | 0.010 | 0.157 |
Total number of observations | 199870 | ||
Number of reflections | 37084 | ||
<I/σ(I)> | 11.3 | ||
Completeness [%] | 96.8 | 98.5 | 82.8 |
Redundancy | 5.4 | 5.7 | 4.5 |
CC(1/2) | 0.995 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M proline, 0.1 M HEPES, 10% w/v PEG3350 |