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 |