7AG7
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
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 | 2019-09-14 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.207, 107.233, 126.855 |
| Unit cell angles | 107.42, 95.93, 110.55 |
Refinement procedure
| Resolution | 53.010 - 1.800 |
| R-factor | 0.1937 |
| Rwork | 0.193 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1to3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.457 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.710 | 53.710 | 1.830 |
| High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
| Rmerge | 0.043 | 0.024 | 0.324 |
| Rmeas | 0.055 | 0.031 | 0.425 |
| Rpim | 0.034 | 0.019 | 0.272 |
| Total number of observations | 786014 | 4779 | 36708 |
| Number of reflections | 352557 | 2171 | 17222 |
| <I/σ(I)> | 9.2 | 19.4 | 2.3 |
| Completeness [%] | 97.5 | 98.7 | 96.1 |
| Redundancy | 2.2 | 2.2 | 2.1 |
| CC(1/2) | 0.998 | 0.998 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 3350, 0.2 M Na2SO4, 0.1M BisTris propane pH7.5 |
