8RJ9
E. coli adenylate kinase Asp84Ala variant in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.776, 72.609, 78.111 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.420 - 1.590 |
| R-factor | 0.1519 |
| Rwork | 0.150 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.198 |
| 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] | 44.420 | 1.650 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.093 | 1.817 |
| Rpim | 0.049 | 0.989 |
| Number of reflections | 61752 | 6030 |
| <I/σ(I)> | 12.1 | 1.1 |
| Completeness [%] | 99.1 | |
| Redundancy | 8.5 | |
| CC(1/2) | 0.999 | 0.462 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 24-26% PEG3350, 100 mM Bis-Tris propane. |
