8RJ6
E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.153, 77.700, 59.279 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 59.050 - 1.900 |
| R-factor | 0.1864 |
| Rwork | 0.184 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.813 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.700 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.105 | 1.723 |
| Rpim | 0.065 | 1.058 |
| Number of reflections | 39997 | 3967 |
| <I/σ(I)> | 9.3 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.996 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG3350, 100 mM Bis-Tris propane pH 7.0 |
