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 |
