3KK9
CaMKII Substrate Complex B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | .9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.708, 60.470, 70.243 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 45.782 - 3.206 |
| R-factor | 0.272 |
| Rwork | 0.270 |
| R-free | 0.32900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.798 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.1.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 5171 | |
| <I/σ(I)> | 9.93 | 2.3 |
| Completeness [%] | 97.7 | 87.7 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 15% 2-methyl-2,4-pentanediol, .1M potassium chloride, 5mM magnesium suflate, 50mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.0, VAPOR DIFFUSION, temperature 293K |
