5D4A
Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-18 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.161, 53.719, 74.291 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.530 - 1.700 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hnx |
RMSD bond length | 0.025 |
RMSD bond angle | 2.478 |
Data scaling software | SCALEPACK |
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 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.064 | 0.039 | 0.325 |
Total number of observations | 106879 | ||
Number of reflections | 16778 | ||
<I/σ(I)> | 15.3 | ||
Completeness [%] | 95.2 | 98.7 | 83.4 |
Redundancy | 6.4 | 6.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 2.4 M NaH2PO4/K2HPO4 |