4FG8
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-13 |
| Detector | RAYONIX MX315HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 63 |
| Unit cell lengths | 83.415, 83.415, 153.372 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.700 - 2.200 |
| R-factor | 0.1981 |
| Rwork | 0.195 |
| R-free | 0.24840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fg7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.588 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.072 | |
| <I/σ(I)> | 22.4 | |
| Completeness [%] | 99.1 | 99.4 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 3% dioxane, 100mM MES, 1.5M (NH4)2SO4, pH 6.0, vapor diffusion, hanging drop, temperature 277K |
