8RJ4
E. coli adenylate kinase in complex with two ADP molecules 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 | 73.385, 76.290, 93.391 |
Unit cell angles | 90.00, 110.76, 90.00 |
Refinement procedure
Resolution | 44.710 - 2.110 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
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] | 44.710 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.133 | 1.452 |
Rpim | 0.083 | 0.903 |
Number of reflections | 55145 | 5433 |
<I/σ(I)> | 8.5 | 1.5 |
Completeness [%] | 99.1 | |
Redundancy | 6.9 | |
CC(1/2) | 0.997 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 291 | 24 % (w/v) PEG3350, 100 mM Bis-Tris propane pH 6.4 |