3TSW
crystal structure of the PDZ3-SH3-GUK core module of Human ZO-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 |
| Unit cell lengths | 100.634, 100.634, 182.516 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.170 - 2.847 |
| R-factor | 0.21848 |
| Rwork | 0.211 |
| R-free | 0.28972 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lh5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.170 | 3.000 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.089 | 0.976 |
| Number of reflections | 47918 | |
| <I/σ(I)> | 17.08 | 1.87 |
| Completeness [%] | 97.6 | 86.9 |
| Redundancy | 5.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 1.2M AmSO4, 0.1M NaAc pH 5.0, 60mM NaF, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
