6HCS
Crystal structure of CaM-peptide complex containing AzF at position 108
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.917143 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.263, 37.214, 121.193 |
| Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
| Resolution | 43.119 - 2.000 |
| R-factor | 0.2619 |
| Rwork | 0.260 |
| R-free | 0.29440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cdm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.859 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.120 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 45156 | |
| <I/σ(I)> | 13.62 | |
| Completeness [%] | 97.6 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | PEG 6000, lithium chloride, sodium chloride |
