6NUF
Structure of Calcineurin in complex with NHE1 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-25 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.34 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.477, 126.808, 127.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.130 - 1.900 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5sve |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.058 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.130 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 49574 | 5550 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 97.6 | 85.59 |
| Redundancy | 2.7 | |
| CC(1/2) | 0.997 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 40% (v/v) PEG 600, 100 mM CHES/ Sodium hydroxide pH 9.5, 0.2 M MgCl2 |
