3CWD
Molecular recognition of nitro-fatty acids by PPAR gamma
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Detector technology | CCD |
Collection date | 2005-07-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9798 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.043, 86.197, 97.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.110 - 2.400 |
R-factor | 0.23572 |
Rwork | 0.233 |
R-free | 0.29002 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.764 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.400 |
Number of reflections | 32973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |