7AG6
Crystal structure of SF kinase YihV from E. coli in complex with sulfofructose (SF), ADP-Mg
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 | 2018-07-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 94.880, 94.880, 167.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.170 - 2.080 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rkd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.487 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.170 | 46.170 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.104 | 0.030 | 1.963 |
| Rmeas | 0.108 | 0.032 | 2.047 |
| Rpim | 0.031 | 0.010 | 0.573 |
| Total number of observations | 622973 | 6521 | 47725 |
| Number of reflections | 53073 | 685 | 3869 |
| <I/σ(I)> | 14.6 | 52 | 1.2 |
| Completeness [%] | 99.8 | 99.3 | 99.9 |
| Redundancy | 11.7 | 9.5 | 12.3 |
| CC(1/2) | 0.999 | 1.000 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 1500 w/v, 0.1 M MIB (malonic acid, imidazole, boric acid) buffer pH 5 |
