7AG1
Crystal structure of E. coli SFP aldolase (YihT) from sulfo-EMP pathway
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 | 2016-12-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 51.166, 155.827, 89.624 |
| Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.000 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1to3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.539 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.500 | 47.500 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.145 | 0.049 | 0.955 |
| Rmeas | 0.165 | 0.056 | 1.096 |
| Rpim | 0.078 | 0.026 | 0.532 |
| Total number of observations | 195045 | 2313 | 13770 |
| Number of reflections | 46029 | 528 | 3393 |
| <I/σ(I)> | 7 | 17.8 | 1.8 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 4.2 | 4.4 | 4.1 |
| CC(1/2) | 0.993 | 0.994 | 0.681 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.25 M sodium nitrate, 0.1 M BisTris propane pH 6.5 |
