4NNL
Tax-Interacting Protein-1 (TIP-1) PDZ domain bound to F-iCAL36 (ANSRFPTSII) peptide
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 | 2011-04-04 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 26.898, 33.574, 66.805 |
Unit cell angles | 100.07, 92.90, 90.02 |
Refinement procedure
Resolution | 19.557 - 1.500 |
R-factor | 0.1818 |
Rwork | 0.181 |
R-free | 0.20210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sfj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.996 |
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] | 19.557 | 3.880 | 1.610 |
High resolution limit [Å] | 1.500 | 2.780 | 1.500 |
Number of reflections | 35086 | ||
<I/σ(I)> | 23.23 | 5.26 | |
Completeness [%] | 95.3 | 97.2 | 93.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 31% (w/v) polyethylene glycol (PEG), 0.2 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |