3P6G
Human adipocyte lipid-binding protein FABP4 in complex with (R)-ibuprofen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.290, 53.546, 74.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.560 - 1.200 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.100 |
| High resolution limit [Å] | 1.060 | 2.280 | 1.060 |
| Rmerge | 0.115 | 0.113 | 0.328 |
| Number of reflections | 57520 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 96.3 | 94.9 | 82.6 |
| Redundancy | 3.3 | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 1.6 M sodium citrate, pH 6.5, vapor diffusion, temperature 293K |
