4NMO
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.083, 47.603, 97.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.471 - 1.400 |
| R-factor | 0.1844 |
| Rwork | 0.183 |
| R-free | 0.20320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e34 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.221 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.830 | 1.520 |
| High resolution limit [Å] | 1.400 | 2.330 | 1.400 |
| Number of reflections | 34205 | ||
| <I/σ(I)> | 30.16 | 56.99 | 4.83 |
| Completeness [%] | 99.8 | 100 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 27% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
