5DYJ
Mysosin heavy chain kinase A catalytic domain mutant - D663A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03318 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.140, 110.250, 79.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.994 - 2.500 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.23290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3lla |
| RMSD bond length | 0.023 |
| RMSD bond angle | 0.682 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.633 | |
| Number of reflections | 26125 | |
| <I/σ(I)> | 16.74 | 5.12 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 14.3 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 8000, Sodium phosphate, Tris, Dichloromethane |
