5D45
Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.390, 54.160, 74.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.830 - 1.650 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hnx |
RMSD bond length | 0.021 |
RMSD bond angle | 2.200 |
Data scaling software | XSCALE |
Phasing software | MOLREP (10.2.35) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 | |
High resolution limit [Å] | 1.650 | 10.000 | 1.650 |
Rmerge | 0.045 | 0.026 | 0.266 |
Rmeas | 0.048 | 0.029 | 0.287 |
Total number of observations | 111887 | ||
Number of reflections | 16156 | 85 | 3654 |
<I/σ(I)> | 28.34 | 59.74 | 7.24 |
Completeness [%] | 99.5 | 89.5 | 100 |
Redundancy | 18.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 2.4 M NaH2PO4/K2HPO4 |