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 |