4ZS4
Crystal Structure of the Inactive Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A (D756A) Complexed with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-03-05 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97938 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.207, 109.744, 77.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1808 |
Rwork | 0.178 |
R-free | 0.22330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lkm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.541 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 30.000 | 2.440 |
High resolution limit [Å] | 2.400 | 7.030 | 2.400 |
Rmerge | 0.140 | 0.062 | 0.549 |
Total number of observations | 227342 | ||
Number of reflections | 28026 | ||
<I/σ(I)> | 17.826 | 2.704 | |
Completeness [%] | 99.9 | 100 | 99.5 |
Redundancy | 7.6 | 9.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 277.15 | PEG 3350, lithium sulphate, Tris chloride |