3TSZ
crystal structure of PDZ3-SH3-GUK core module from human ZO-1 in complex with 12mer peptide from human JAM-A cytoplasmic tail
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 | 2011-03-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.500, 49.700, 91.800 |
| Unit cell angles | 90.00, 101.10, 90.00 |
Refinement procedure
| Resolution | 90.080 - 2.502 |
| R-factor | 0.24675 |
| Rwork | 0.240 |
| R-free | 0.30889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lh5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.058 |
| 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] | 90.100 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.081 | 0.553 |
| Number of reflections | 15077 | |
| <I/σ(I)> | 15.08 | 1.63 |
| Completeness [%] | 96.1 | 74.6 |
| Redundancy | 5.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293.15 | 9% PEG 3350, 0.1 M Sodium Malonate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
