3P6E
Human adipocyte lipid-binding protein FABP4 in complex with 3-(4-methoxyphenyl) propionic acid
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 | 32.073, 53.206, 74.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.390 - 1.080 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.020 |
| 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 | 1.120 |
| High resolution limit [Å] | 1.080 | 2.331 | 1.080 |
| Rmerge | 0.122 | 0.112 | 0.432 |
| Number of reflections | 53739 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 96.0 | 98.9 | 76 |
| Redundancy | 5.8 | 6.4 | 3.2 |
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 |
