8E1H
Asp1 kinase in complex with ADP Mg 5-IP7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.600, 87.123, 86.025 |
Unit cell angles | 90.00, 94.73, 90.00 |
Refinement procedure
Resolution | 47.440 - 1.900 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nzm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.067 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rpim | 0.052 | 0.346 |
Number of reflections | 52215 | 2618 |
<I/σ(I)> | 31.3 | |
Completeness [%] | 95.2 | 97.6 |
Redundancy | 2.9 | 2.6 |
CC(1/2) | 0.994 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris propane (pH 8.1), 0.15 M NaF, and 20% PEG 3,350 |