8E1I
Asp1 kinase in complex with ATP Mg 5-IP7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-31 |
Detector | DECTRIS EIGER2 S 1M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.777, 88.495, 86.569 |
Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
Resolution | 36.670 - 2.000 |
R-factor | 0.1963 |
Rwork | 0.195 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8e1h |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.059 | 0.026 | 0.767 |
Rmeas | 0.067 | 0.029 | 0.868 |
Rpim | 0.031 | 0.013 | 0.401 |
Number of reflections | 93269 | 2486 | 2376 |
<I/σ(I)> | 13.6 | ||
Completeness [%] | 98.6 | 99.4 | 98.9 |
Redundancy | 4.3 | 4.6 | 4.4 |
CC(1/2) | 0.999 | 0.697 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 M bis-tris propane (pH 7.8), 0.1 M NaF, and 20% PEG 3,350 |