3LMI
Crystal Structure of the Inactive Alpha-kinase Domain of Myosin Heavy Chain Kinase A (D766A) complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.918 |
Spacegroup name | P 41 |
Unit cell lengths | 81.192, 81.192, 187.561 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.170 - 2.200 |
R-factor | 0.20257 |
Rwork | 0.199 |
R-free | 0.26916 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lkm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.275 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (6.1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.058 | 0.131 |
Number of reflections | 56572 | |
<I/σ(I)> | 18.63 | 6.723 |
Completeness [%] | 92.1 | 80.8 |
Redundancy | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% PEG 3350, 0.2M potassium phosphate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |