3UCY
Structure of Mg2+ bound N-terminal domain of calmodulin in the presence of Zn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 35.298, 35.298, 142.937 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.730 - 1.800 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.22790 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.302 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.157 | 0.145 | 0.592 |
| Number of reflections | 9179 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 27.4 | 28.1 | 26.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100MM TRIS CACODYLATE, 25MM ZNCL2, 16% PEG8000, 100MM MGCL2, 20% ETHYLENE GLYCOL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
