5OVA
Apo PDZ domain from rat Shank3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.080, 48.530, 78.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.272 - 2.300 |
| R-factor | 0.2813 |
| Rwork | 0.279 |
| R-free | 0.29660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.707 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.057 | 1.167 |
| Number of reflections | 8035 | |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 6.3 | 6.8 |
| CC(1/2) | 1.000 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate, 2.0 M ammonium sulphate |
