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. |