7AGK
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)
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 | 2019-02-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.548, 91.856, 312.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.010 - 2.970 |
| R-factor | 0.2343 |
| Rwork | 0.232 |
| R-free | 0.28440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ag6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.472 |
| 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] | 79.160 | 79.160 | 3.150 |
| High resolution limit [Å] | 2.970 | 8.910 | 2.970 |
| Rmerge | 0.190 | 0.082 | 1.342 |
| Rmeas | 0.203 | 0.091 | 1.430 |
| Rpim | 0.071 | 0.037 | 0.489 |
| Total number of observations | 238073 | 8473 | 37901 |
| Number of reflections | 29364 | 1257 | 4632 |
| <I/σ(I)> | 7 | 13.9 | 1.9 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.1 | 6.7 | 8.2 |
| CC(1/2) | 0.916 | 0.854 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% PEG 1500 w/v, 0.1 M PCTP buffer pH8 (propionic acid, cacodylate, bistris propane) |
