5N9H
STRUCTURE OF 283-LGNY-286, THE STERIC ZIPPER THAT SUPPORTS THE SELF-ASSOCIATION OF P. STUARTII OMP-PST2 INTO DIMERS OF TRIMERS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 |
| Unit cell lengths | 4.784, 11.546, 47.044 |
| Unit cell angles | 90.01, 90.01, 90.01 |
Refinement procedure
| Resolution | 23.522 - 0.997 |
| R-factor | 0.0818 |
| Rwork | 0.081 |
| R-free | 0.09590 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.929 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.040 | 1.060 |
| High resolution limit [Å] | 0.997 | 1.000 |
| Rmerge | 0.040 | 0.150 |
| Number of reflections | 4934 | |
| <I/σ(I)> | 14.81 | 5.47 |
| Completeness [%] | 89.7 | 87.4 |
| Redundancy | 2.17 | 2.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 3.2 M AMMONIUM SULFATE; 0.1 M BUFFER ACID CITRIC PH4 |
