3VQF
Crystal Structure Analysis of the PDZ Domain Derived from the Tight Junction Regulating Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 60.493, 51.210, 33.291 |
| Unit cell angles | 90.00, 120.00, 90.00 |
Refinement procedure
| Resolution | 26.195 - 1.199 |
| R-factor | 0.1457 |
| Rwork | 0.145 |
| R-free | 0.16390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.570 | 1.220 |
| High resolution limit [Å] | 1.199 | 1.510 | 1.200 |
| Rmerge | 0.062 | 0.660 | 0.184 |
| Number of reflections | 27350 | ||
| <I/σ(I)> | 3.3 | 5.1 | |
| Completeness [%] | 99.1 | 99.6 | 98.4 |
| Redundancy | 13.1 | 14.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 23% PEG 8000, 0.2M sodium acetate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
