7AGH
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.085, 82.224, 170.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.010 - 2.930 |
| R-factor | 0.2163 |
| Rwork | 0.214 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ag6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.419 |
| 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] | 59.210 | 59.210 | 3.110 |
| High resolution limit [Å] | 2.930 | 8.790 | 2.930 |
| Rmerge | 0.119 | 0.056 | 0.367 |
| Rmeas | 0.129 | 0.061 | 0.399 |
| Rpim | 0.050 | 0.026 | 0.156 |
| Total number of observations | 165747 | 5986 | 26342 |
| Number of reflections | 25634 | 1071 | 4069 |
| <I/σ(I)> | 10.4 | 16.3 | 4.7 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 6.5 | 5.6 | 6.5 |
| CC(1/2) | 0.995 | 0.996 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350w/v, 0.2 M MgCl2.6H2O, 0.1 M BisTris pH5.5 |
