4JOR
CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (RLQRRRETQV)
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 | 2012-09-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.205, 47.960, 52.852 |
Unit cell angles | 90.00, 101.98, 90.00 |
Refinement procedure
Resolution | 19.290 - 1.340 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.18110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4E34 (CAL PDZ domain bound to iCAL36 peptide) |
RMSD bond length | 0.007 |
RMSD bond angle | 1.166 |
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] | 19.290 | 2.310 | 1.420 |
High resolution limit [Å] | 1.340 | 2.010 | 1.340 |
Rmerge | 0.050 | 0.020 | 0.247 |
Number of reflections | 34483 | ||
<I/σ(I)> | 36.69 | 56.42 | 7.53 |
Completeness [%] | 94.2 | 98.9 | 77.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 29% (w/v) polyethylene glycol (PEG), 0.075 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |