3P6H
Human adipocyte lipid-binding protein FABP4 in complex with (S)-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 | 32.328, 53.380, 75.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.500 - 1.150 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.010 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.500 | 37.516 | 1.120 |
| High resolution limit [Å] | 1.060 | 3.350 | 1.060 |
| Rmerge | 0.080 | 0.725 | |
| Number of reflections | 58556 | ||
| <I/σ(I)> | 6.1 | 7.1 | 1 |
| Completeness [%] | 98.4 | 98.4 | 94.3 |
| Redundancy | 6.3 | 8.6 | 3.8 |
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 |
