5EZV
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.608, 134.112, 141.287 |
Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
Resolution | 49.300 - 2.990 |
R-factor | 0.2254 |
Rwork | 0.224 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zhx |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (6.3.0) |
Refinement software | BUSTER-TNT (1.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.300 | 49.300 | 3.080 |
High resolution limit [Å] | 2.990 | 12.690 | 2.990 |
Rmerge | 0.081 | 0.049 | 0.468 |
Rpim | 0.053 | 0.034 | 0.312 |
Total number of observations | 182062 | 2356 | 14563 |
Number of reflections | 56584 | ||
<I/σ(I)> | 10.1 | 20.5 | 2.6 |
Completeness [%] | 99.4 | 98.2 | 98 |
Redundancy | 3.2 | 3.1 | 3.2 |
CC(1/2) | 0.994 | 0.989 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole |