4UU6
CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF PALS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-25 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 44.140, 44.140, 89.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.592 - 1.800 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.600 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 1.360 |
| Number of reflections | 8722 | |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.085M TRIS (PH 8), 0.17M NA ACETATE, 19% (V/V) GLYCEROL, 25.9% (W/V) PEG 4000 |
