8E1J
Asp1 kinase in complex with 1,5-IP8
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 | 47.857, 87.999, 86.183 |
Unit cell angles | 90.00, 94.24, 90.00 |
Refinement procedure
Resolution | 44.000 - 1.600 |
R-factor | 0.1938 |
Rwork | 0.193 |
R-free | 0.21850 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.056 | 0.039 | 0.633 |
Rmeas | 0.064 | 0.045 | 0.717 |
Rpim | 0.031 | 0.022 | 0.333 |
Number of reflections | 177700 | 4663 | 4521 |
<I/σ(I)> | 13.7 | ||
Completeness [%] | 98.0 | 97.4 | 97.8 |
Redundancy | 4.2 | 4.2 | 4.3 |
CC(1/2) | 0.997 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris propane (pH 6.9), 0.3 M NaF, and 20% PEG 3,350 |