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 |
