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 |