3BYA
Structure of a Calmodulin Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.768, 42.737, 62.012 |
| Unit cell angles | 90.00, 106.92, 90.00 |
Refinement procedure
| Resolution | 32.740 - 1.850 |
| R-factor | 0.18375 |
| Rwork | 0.181 |
| R-free | 0.23159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.682 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.298 |
| Number of reflections | 14639 | |
| <I/σ(I)> | 28.1 | 4.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 17-19% PEG 3350, 0.120mM Ammonium Phosphate, 15% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
